![C31H30N2O7 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-7- methyl-,9-Ra,3-Ra,3-Ra ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H30N2O7 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-7- methyl-,9-Ra,3-Ra,3-Ra ACI) Chithunzi Chowonetsedwa](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo.jpg)
C31H30N2O7 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-7- methyl-,9-Ra,3-Ra,3-Ra ACI)
| Zofunika Zathupi | Mtengo | Mkhalidwe |
| Kulemera kwa Maselo | 542.58 | - |
| Boiling Point (Zonenedweratu) | 692.9±65.0 °C | Press: 760 Torr |
| Kachulukidwe (Zonenedweratu) | 1.33±0.1 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr |
| pKa (Zonenedweratu) | 12.51±0.60 | Kutentha Kwambiri kwa Acid: 25 ° C |
Canonical AMAmwetulira O=C1N=C2OC3C(O)C(OC3N2C=C1C)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
Isomeric AMAmwetulira C(OC[C@H]1O[C@]2([C@]([C@@H]1O)(OC=3N2C=C(C)C(=O)N3)[H])[H])(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5CC=C6)=C
InChi
InChI=1S/C31H30N2O7/c1-19-17-33-29-27(40-30(33)32-28(19)35)26 (34)25(39-29)18-38-31(20-7-5-4-6-8-20,21-9-13-23(36-2)14-10-21
)22-11-15-24(37-3)16-12-22/h4-17,25-27,29,34H,18H2,1-3H3/t25-,26-,27+,29-/m1/s1
InChi Key
BQEQCEZNLIKSSH-CITHKVLSSA-N
1 Dzina Lina la chinthu ichi
(2R,3R,3aS,9aR)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-7-methyl-6H-furo[2′,3′:4,5]oxazolo [3,2-a]pyrimidin-6-one (ACIdin-6)-one
Spectra ilipo
1H NMR
13C NMR
Misa
| Katundu zilipo |
| Zachilengedwe |
| Chemical |
| Kuchulukana |
| Lipinski |
| Zogwirizana ndi Kapangidwe |
| Kutentha |
Zachilengedwe
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Bioconcentration Factor | 2800 | pH 1; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 2; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 3; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 4; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 5; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 6; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 7; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 8; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 9; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2790 | 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 | 10200 | pH 1; Kutentha: 25 ° C | (1) ACD |
| Koc | 10200 | pH 2; Kutentha: 25 ° C | (1) ACD |
| Koc | 10200 | pH 3; Kutentha: 25 ° C | (1) ACD |
| Koc | 10200 | pH 4; Kutentha: 25 ° C | (1) ACD |
| Koc | 10200 | pH 5; Kutentha: 25 ° C | (1) ACD |
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Koc | 10200 | pH 6; Kutentha: 25 ° C | (1) ACD |
| Koc | 10200 | pH 7; Kutentha: 25 ° C | (1) ACD |
| Koc | 10200 | pH 8; Kutentha: 25 ° C | (1) ACD |
| Koc | 10200 | pH 9; Kutentha: 25 ° C | (1) ACD |
| Koc | 10200 | pH 10; Kutentha: 25 ° C | (1) ACD |
| logD | 4.84 | pH 1; Kutentha: 25 ° C | (1) ACD |
| logD | 4.84 | pH 2; Kutentha: 25 ° C | (1) ACD |
| logD | 4.84 | pH 3; Kutentha: 25 ° C | (1) ACD |
| logD | 4.84 | pH 4; Kutentha: 25 ° C | (1) ACD |
| logD | 4.84 | pH 5; Kutentha: 25 ° C | (1) ACD |
| logD | 4.84 | pH 6; Kutentha: 25 ° C | (1) ACD |
| logD | 4.84 | pH 7; Kutentha: 25 ° C | (1) ACD |
| logD | 4.84 | pH 8; Kutentha: 25 ° C | (1) ACD |
| logD | 4.84 | pH 9; Kutentha: 25 ° C | (1) ACD |
| logD | 4.84 | pH 10; Kutentha: 25 ° C | (1) ACD |
| logP | 4.839±0.618 | Kutentha: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 3.6 x 10-4 g/L | Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 3.6 x 10-4 g/L | pH 1; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 3.6 x 10-4 g/L | pH 2; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 3.6 x 10-4 g/L | pH 3; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 3.6 x 10-4 g/L | pH 4; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 3.6 x 10-4 g/L | pH 5; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 3.6 x 10-4 g/L | pH 6; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 3.6 x 10-4 g/L | pH 7; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 3.6 x 10-4 g/L | pH 8; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 3.6 x 10-4 g/L | pH 9; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 3.6 x 10-4 g/L | pH 10; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 3.6 x 10-4 g/L | Madzi Osasunthika pH 7.00; Kutentha: 25 ° C | (1) ACD |
| Molar Intrinsic Solubility | 6.6 x 10-7 mol / L | Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol / L | pH 1; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol / L | pH 2; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol / L | pH 3; Kutentha: 25 ° C | (1) ACD |
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Molar Solubility | 6.6 x 10-7 mol / L | pH 4; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol / L | pH 5; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol / L | pH 6; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol / L | pH 7; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol / L | pH 8; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol / L | pH 9; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 6.7 x 10-7 mol / L | pH 10; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 mol / L | Madzi Osasunthika pH 7.00; Kutentha: 25 ° C | (1) ACD |
| Kulemera kwa Maselo | 542.58 | ||
| pKa | 12.51±0.60 | Kutentha Kwambiri kwa Acid: 25 ° C | (1) ACD |
| pKa | -4.38±0.60 | Kutentha Kwambiri Kwambiri: 25 °C | (1) ACD |
| Kuthamanga kwa Vapor | 3.73 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 | 1.33±0.1 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar Volume | 404.9±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 | |
| H Olandira | 9 | (1) ACD | |
| H Opereka | 1 | (1) ACD | |
| H Chiwerengero cha Wopereka / Wolandira | 10 | (1) ACD | |
| logP | 4.839±0.618 | Kutentha: 25 ° C | (1) ACD |
| Kulemera kwa Maselo | 542.58 |
(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 | 692.9±65.0 °C | Press: 760 Torr | (1) ACD |
| Enthalpy ya vaporization | 106.61±3.0 kJ/mol | Press: 760 Torr | (1) ACD |
| Pophulikira | 372.8±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
![C30H29FN2O7 Uridine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine-300x300.jpg)
![C44H49N5O7Si Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-[(1,1-dimethylethyl)dimethylsilyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine-300x300.jpg)
![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide-300x300.jpg)
