C47H60N7O10P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2- methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N N-bis (1-methylethyl)phosphoramidite] (ACI)
Nambala ya Registry ya CAS
251647-55-9
H302
Zofunika Zathupi | Mtengo | Mkhalidwe |
Kulemera kwa Maselo | 914.00 | - |
pKa (Zonenedweratu) | 9.16±0.20 | Kutentha Kwambiri kwa Acid: 25 ° C |
Canonical SMILES
N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC =C(OC)C=C5)C6=CC=C(OC)C=C6) N(C(C)C)C(C)C
Isomeric AMAmwetulira
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@ H](O1)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C (OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChi
InChi= 1S/C47H60N7O10P/c1-30(2)43(55)51-46-50-42-39(44(56)52-46)49-29-53(42)45-41(60-27-26- 57-7)40(64-65(62-25-13-24-48)54( 31(3)4)32(5)6)38(63-45)28-61-47(33-14-11-10-12-15-33,34-16-20-3) 6(58-8)21-17-34)35-18-22-37(59-9)23-19-35/h10-12,14-23,29-32,38 ,40-41,45H,13,25-28H2,1-9H3,(H2,50,51,52,55,56)/t38-,40-,41-,45-,65?/m1/s1
InChi Key
LADCDGNEBIQAAU-SBCRAQIVSA-N
17 Maina ena a chinthu ichi
Guanosine, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ - [2-cyanoethyl bis(1- methylethyl)phosphoramidite] (9CI); 17: PN: US20030212017 TSAMBA: 20 zotsatizana; 18: PN: US20030211606 TSAMBA: 20
adatengera kutsatizana; 19: PN: US20040005569 TSAMBA: 22 zotsatizana; 21: PN: US20040006030 TSAMBA: 23 zotsatizana; 21: PN: US20040014047 TSAMBA: 21 zotsatizana; 21: PN: US20040014049 TSAMBA: 21 zotsatizana; 22: PN: US20030198965 PAG
E: 20 zotsatizana; 22: PN: US20040005570 TSAMBA: 21 zotsatizana; 22: PN: US20040014048 TSAMBA: 21 zotsatizana;
22: PN: US20040014050 TSAMBA: 21 zotsatizana; 23: PN: US20040005565 TSAMBA: 17- 22 zotsatizana; 23: PN: US20040
014051 TSAMBA: 23 zotsatizana; 24: PN: US20040014699 TSAMBA: 21 zotsatizana; 25: PN: US20040006029 TSAMBA: 23 zotsatizana; 25: PN: WO03106645 TSAMBA: 73 zotsatizana; 96: PN: US20040005707 TSAMBA: 21 zotsatizana
Spectra ilipo
13 C NMR
Hetero NMR
Katundu zilipo
Zachilengedwe
Chemical
Lipinski
Zogwirizana ndi Kapangidwe
Katundu | Mtengo | Mkhalidwe | Gwero |
Bioconcentration Factor | 121 | pH 1; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 2580 | pH 2; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 23500 | pH 3; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 71800 | pH 4; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 89800 | pH 5; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 92100 | pH 6; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 91300 | pH 7; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 82500 | pH 8; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 42200 | pH 9; Kutentha: 25 ° C | (1) ACD |
Bioconcentration Factor | 7860 | pH 10; Kutentha: 25 ° C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Katundu | Mtengo | Mkhalidwe | Gwero |
Koc | 164 | pH 1; Kutentha: 25 ° C | (1) ACD |
Koc | 3480 | pH 2; Kutentha: 25 ° C | (1) ACD |
Koc | 31700 | pH 3; Kutentha: 25 ° C | (1) ACD |
Koc | 96900 | pH 4; Kutentha: 25 ° C | (1) ACD |
Koc | 1.21x105 | pH 5; Kutentha: 25 ° C | (1) ACD |
Katundu | Mtengo | Mkhalidwe | Gwero |
Koc | 1.24x105 | pH 6; Kutentha: 25 ° C | (1) ACD |
Koc | 1.23 x 105 | pH 7; Kutentha: 25 ° C | (1) ACD |
Koc | 1.11x105 | pH 8; Kutentha: 25 ° C | (1) ACD |
Koc | 56900 | pH 9; Kutentha: 25 ° C | (1) ACD |
Koc | 10600 | pH 10; Kutentha: 25 ° C | (1) ACD |
logD | 3.95 | pH 1; Kutentha: 25 ° C | (1) ACD |
logD | 5.28 | pH 2; Kutentha: 25 ° C | (1) ACD |
logD | 6.24 | pH 3; Kutentha: 25 ° C | (1) ACD |
logD | 6.73 | pH 4; Kutentha: 25 ° C | (1) ACD |
logD | 6.82 | pH 5; Kutentha: 25 ° C | (1) ACD |
logD | 6.83 | pH 6; Kutentha: 25 ° C | (1) ACD |
logD | 6.83 | pH 7; Kutentha: 25 ° C | (1) ACD |
logD | 6.79 | pH 8; Kutentha: 25 ° C | (1) ACD |
logD | 6.50 | pH 9; Kutentha: 25 ° C | (1) ACD |
logD | 5.77 | pH 10; Kutentha: 25 ° C | (1) ACD |
logP | 6.837±0.764 | Kutentha: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 4.4 x 10-4 g/L | Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 0.34g/L | pH 1; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 0.016 g/L | pH 2; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 1.7 x 10-3 g/L | pH 3; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 5.7 x 10-4 g/L | pH 4; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 4.6 x 10-4 g/L | pH 5; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 4.4 x 10-4 g/L | pH 6; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 4.5 x 10-4 g/L | pH 7; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 4.9 x 10-4 g/L | pH 8; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 1.0 x 10-3 g/L | pH 9; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 5.2 x 10-3 g/L | pH 10; Kutentha: 25 ° C | (1) ACD |
Misa Solubility | 4.5 x 10-4 g/L | Madzi Osasunthika pH 6.99; Kutentha: 25 ° C | (1) ACD |
Molar Intrinsic Solubility | 4.8 x 10-7 mol / L | Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 3.7 x 10-4 mol / L | pH 1; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 1.7 x 10-5 mol / L | pH 2; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 1.9 x 10-6 mol / L | pH 3; Kutentha: 25 ° C | (1) ACD |
Katundu | Mtengo | Mkhalidwe | Gwero |
Molar Solubility | 6.2 x 10-7 mol / L | pH 4; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 5.0 x 10-7 mol/L | pH 5; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 4.8 x 10-7 mol / L | pH 6; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 4.9 x 10-7 mol / L | pH 7; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 5.4 x 10-7 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 | 5.7 x 10-6 mol / L | pH 10; Kutentha: 25 ° C | (1) ACD |
Molar Solubility | 4.9 x 10-7 mol / L | Madzi Osasunthika pH 6.99; Kutentha: 25 ° C | (1) ACD |
Kulemera kwa Maselo | 914.00 | ||
pKa | 9.16±0.20 | Kutentha Kwambiri kwa Acid: 25 ° C | (1) ACD |
pKa | 3.45±0.70 | Kutentha Kwambiri Kwambiri: 25 °C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Katundu | Mtengo | Mkhalidwe | Gwero |
Ma Bond Osinthasintha Mwaulere | 22 | (1) ACD | |
H Olandira | 17 | (1) ACD | |
H Opereka | 2 | (1) ACD | |
H Chiwerengero cha Wopereka / Wolandira | 19 | (1) ACD | |
logP | 6.837±0.764 | Kutentha: 25 ° C | (1) ACD |
Kulemera kwa Maselo | 914.00 |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Katundu | Mtengo | Condition Source |
Malo a Polar Surface | 203 a2 | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra ilipo
1H NMR
13 C NMR
Gwero la Chidziwitso Chowopsa cha Code | |
H302 Zowopsa ngati zitamezedwa | European Chemical Agency (ECHA) Classification & Labelling Inventory - Gulu lodziwitsidwa ndi zilembo - zidziwitso zodziwika bwino, European Chemical Agency (ECHA) Classification&Labelling Inventory - Gulu lodziwitsidwa ndi kulemba - zidziwitso zazikulu kwambiri |