![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-imodzi, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-imodzi, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a , 9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI) Chithunzi Chowonetsedwa](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo.jpg)
C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-imodzi, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)
| Zofunika Zathupi | Mtengo | Mkhalidwe |
| Kulemera kwa Maselo | 528.55 | - |
| Melting Point (Zoyeserera) | 129.5-130 °C | - |
| Boiling Point (Zonenedweratu) | 688.2±65.0 °C | Press: 760 Torr |
| Kachulukidwe (Zonenedweratu) | 1.35±0.1 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr |
| pKa (Zonenedweratu) | 12.51±0.40 | Kutentha Kwambiri kwa Acid: 25 ° C |
Canonical AMAmwetulira O=C1N=C2OC3C(O)C(OC3N2C=C1)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
Isomeric SMILES C(OC[C@H]1O[C@]2([C@]([C@@H]1O)(OC=3N2C=CC(=O)N3)[H])[H] )(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChi
InChI=1S/C30H28N2O7/c1-35-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(36- 2)15-11-21)37-18-24-26(34)27-28(38-24)32-17- 16-25(33)31-29(32)39-27/h3-17, 24,26-28,34H,18H2,1-2H3/t24-,26-,27+,28-/m1/s1
InChi Key
OEIRLWHCGAICDW-AOGFTHLWSA-N
2 Maina ena a chinthu ichi
(2R,3R,3aS,9aR)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-6H-furo[2′,3′:4 ,5]oxazolo[3,2-a] pyrimidin-6-imodzi (ACI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a -
tetrahydro-3-hydroxy-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI)
| Katundu zilipo |
| Kutentha |
Kutentha
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Melting Point | 129.5-130 °C | (1) CAS | |
(1) Szlenkier, Maurycy; Nucleosides, Nucleotides & Nucleic Acids, (2016), 35 (8), 410-425, CAplus
| Spectra ilipo |
| 1H NMR |
| 13C NMR |
| IR |
| Misa |
Zonenedweratu Katundu
| Katundu zilipo |
| Zachilengedwe |
| Chemical |
| Kuchulukana |
| Lipinski |
| Zogwirizana ndi Kapangidwe |
| Kutentha |
Zachilengedwe
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Bioconcentration Factor | 1360 | pH 1; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 2; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 3; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 4; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 5; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 6; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 7; Kutentha: 25 ° C | (1) ACD |
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Bioconcentration Factor | 1360 | pH 8; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 9; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1350 | pH 10; Kutentha: 25 ° C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Koc | 6080 | pH 1; Kutentha: 25 ° C | (1) ACD |
| Koc | 6080 | pH 2; Kutentha: 25 ° C | (1) ACD |
| Koc | 6080 | pH 3; Kutentha: 25 ° C | (1) ACD |
| Koc | 6080 | pH 4; Kutentha: 25 ° C | (1) ACD |
| Koc | 6080 | pH 5; Kutentha: 25 ° C | (1) ACD |
| Koc | 6080 | pH 6; Kutentha: 25 ° C | (1) ACD |
| Koc | 6080 | pH 7; Kutentha: 25 ° C | (1) ACD |
| Koc | 6080 | pH 8; Kutentha: 25 ° C | (1) ACD |
| Koc | 6070 | pH 9; Kutentha: 25 ° C | (1) ACD |
| Koc | 6060 | pH 10; Kutentha: 25 ° C | (1) ACD |
| logD | 4.42 | pH 1; Kutentha: 25 ° C | (1) ACD |
| logD | 4.42 | pH 2; Kutentha: 25 ° C | (1) ACD |
| logD | 4.42 | pH 3; Kutentha: 25 ° C | (1) ACD |
| logD | 4.42 | pH 4; Kutentha: 25 ° C | (1) ACD |
| logD | 4.42 | pH 5; Kutentha: 25 ° C | (1) ACD |
| logD | 4.42 | pH 6; Kutentha: 25 ° C | (1) ACD |
| logD | 4.42 | pH 7; Kutentha: 25 ° C | (1) ACD |
| logD | 4.42 | pH 8; Kutentha: 25 ° C | (1) ACD |
| logD | 4.42 | pH 9; Kutentha: 25 ° C | (1) ACD |
| logD | 4.42 | pH 10; Kutentha: 25 ° C | (1) ACD |
| logP | 4.424±0.618 | Kutentha: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 5.8 x 10-4 g/L | Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 5.8 x 10-4 g/L | pH 1; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 5.8 x 10-4 g/L | pH 2; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 5.8 x 10-4 g/L | pH 3; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 5.8 x 10-4 g/L | pH 4; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 5.8 x 10-4 g/L | pH 5; Kutentha: 25 ° C | (1) ACD |
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Misa Solubility | 5.8 x 10-4 g/L | pH 6; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 5.8 x 10-4 g/L | pH 7; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 5.8 x 10-4 g/L | pH 8; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 5.8 x 10-4 g/L | pH 9; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 5.8 x 10-4 g/L | pH 10; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 5.8 x 10-4 g/L | Madzi Osasunthika pH 7.00; Kutentha: 25 ° C | (1) ACD |
| Molar Intrinsic Solubility | 1.1 x 10-6 mol / L | Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol / L | pH 1; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol / L | pH 2; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol / L | pH 3; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol / L | pH 4; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol / L | pH 5; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol / L | pH 6; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol / L | pH 7; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol / L | pH 8; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol / L | pH 9; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol / L | pH 10; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol / L | Madzi Osasunthika pH 7.00; Kutentha: 25 ° C | (1) ACD |
| Kulemera kwa Maselo | 528.55 | ||
| pKa | 12.51±0.40 | Kutentha Kwambiri kwa Acid: 25 ° C | (1) ACD |
| pKa | -4.70±0.60 | Kutentha Kwambiri Kwambiri: 25 °C | (1) ACD |
| Kuthamanga kwa Vapor | 6.91 x 10-20 | Kutentha: 25 ° C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kuchulukana
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Kuchulukana | 1.35±0.1 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar Volume | 389.8±7.0cm3/mol | Kutentha: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Ma Bond Osinthasintha Mwaulere | 9 | (1) ACD | |
| Katundu | Mtengo | Mkhalidwe | Gwero |
| H Olandira | 9 | (1) ACD | |
| H Opereka | 1 | (1) ACD | |
| H Chiwerengero cha Wopereka / Wolandira | 10 | (1) ACD | |
| logP | 4.424±0.618 | Kutentha: 25 ° C | (1) ACD |
| Kulemera kwa Maselo | 528.55 |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Zogwirizana ndi Kapangidwe
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Malo a Polar Surface | 99.1 A2 | (1) ACD | |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kutentha
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Boiling Point | 688.2±65.0 °C | Press: 760 Torr | (1) ACD |
| Enthalpy ya vaporization | 105.96±3.0 kJ/mol | Press: 760 Torr | (1) ACD |
| Pophulikira | 370.0±34.3 °C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra ilipo
1H NMR
13C NMR
![C36H39N5O8 Guanosine, 5'-O--[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- N-(2-methyl-1-oxopropyl)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine-300x300.jpg)
![C33H35N3O8 Cytidine, N-acetyl-5′-O--[bis(4-methoxyphenyl)phenylmethyl]-2′-O- methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine-300x300.jpg)
![C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N, N-bis(1-methyl ethyl)phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C44H53FN7O8-300x300.png)
![C41H41N5O8 Adenosine, N-benzoyl-5′-O--[bis(4-methoxyphenyl)phenylmethyl]-2′- O-(2-methoxyethyl)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine-300x300.jpg)
![C34H39N3O8 Cytidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methox yethyl)-5-methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine-300x300.jpg)
![C48H54N7O8P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI)](https://cdn.globalso.com/nvchem/C48H54N7O8P-300x300.png)