C47H60N7O10P Guanosin, 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)
Lambar Rijistar CAS
251647-55-9
H302
Mabuɗin Abubuwan Jiki | Daraja | Yanayi |
Nauyin Kwayoyin Halitta | 914.00 | - |
pKa (An annabta) | 9.16 ± 0.20 | Mafi yawan zafin jiki: 25 ° C |
MURMUSHI na Canonical
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
MURMUSHI
C(OC[C@H] 1[C@@H](OP(N(C)C)C(C)C)OCCC#N 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
Wasu Sunaye 17 na wannan Abu
Guanosin, 5'-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O(2-methoxyethyl)N(2-methyl-1-oxopropyl) -, 3 '- [2-cyanoethyl bis (1- methylethyl) phosphoramite] (9CI); 17: PN: US20030212017 SHAFI: 20 da'awar jerin; 18: PN: US20030211606 SHAFI: 20
da'awar jerin; 19: PN: US20040005569 SHAFI: 22 da'awar jeri; 21: PN: US20040006030 SHAFI: 23 da'awar jerin; 21: PN: US20040014047 SHAFI: 21 da'awar jeri; 21: PN: US20040014049 SHAFI: 21 da'awar jerin; 22: PN: US20030198965 PAG
E: 20 da'awar jerin; 22: PN: US20040005570 SHAFI: 21 da'awar jeri; 22: PN: US20040014048 SHAFI: 21 da'awar jeri;
22: PN: US20040014050 SHAFI: 21 da'awar jeri; 23: PN: US20040005565 SHAFI: 17- 22 da'awar jeri; 23: PN: US20040
014051 SHAFI: 23 da'awar jeri; 24: PN: US20040014699 SHAFI: 21 da'awar jerin; 25: PN: US20040006029 SHAFI: 23 da'awar jerin; 25: PN: WO03106645 SHAFI: 73 da'awar jeri; 96: PN: US20040005707 SHAFI: 21 da'awar jeri
Spectra akwai
13 C NMR
Farashin NMR
Properties akwai
Halittu
Chemical
Lipinski
Tsarin Yanayi
Dukiya | Daraja | Yanayi | Source |
Factor na Bioconcentration | 121 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 2580 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 23500 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 71800 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 89800 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 92100 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 91300 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 82500 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 42200 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 7860 | pH 10; Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dukiya | Daraja | Yanayi | Source |
Koc | 164 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Koc | 3480 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Koc | 31700 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Koc | 96900 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Koc | 1.21 x 105 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Yanayi | Source |
Koc | 1.24 x 105 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Koc | 1.23 x 105 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Koc | 1.11 x 105 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Koc | 56900 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Koc | 10600 | pH 10; Zazzabi: 25 ° C | (1) ACD |
logD | 3.95 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
logD | 5.28 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
logD | 6.24 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
logD | 6.73 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
logD | 6.82 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
logD | 6.83 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
logD | 6.83 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
logD | 6.79 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
logD | 6.50 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
logD | 5.77 | pH 10; Zazzabi: 25 ° C | (1) ACD |
logP | 6.837± 0.764 | Zazzabi: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 4.4 x 10-4 g/L | Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 0.34 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 0.016 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.7 x 10-3 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 5.7 x 10-4 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 4.6 x 10-4 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 4.4 x 10-4 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 4.5 x 10-4 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 4.9 x 10-4 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.0 x 10-3 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 5.2 x 10-3 g/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 4.5 x 10-4 g/L | Ruwan da ba a buƙata ba pH 6.99; Zazzabi: 25 ° C | (1) ACD |
Solubility na Ciki na Molar | 4.8 x 10-7 mol/L | Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 3.7 x 10-4 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.7 x 10-5 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.9 x 10-6 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Yanayi | Source |
Solubility na Molar | 6.2 x 10-7 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 5.0 x 10-7 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 4.8 x 10-7 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 4.9 x 10-7 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 5.4 x 10-7 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.1 x 10-6 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 5.7 x 10-6 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 4.9 x 10-7 mol/L | Ruwan da ba a buƙata ba pH 6.99; Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 914.00 | ||
pKa | 9.16 ± 0.20 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
pKa | 3.45± 0.70 | Mafi Asalin Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dukiya | Daraja | Yanayi | Source |
Ƙimar Rarraba Kyauta | 22 | (1) ACD | |
H Masu karɓa | 17 | (1) ACD | |
H Masu Ba da taimako | 2 | (1) ACD | |
H Donor/Acceptor Sum | 19 | (1) ACD | |
logP | 6.837± 0.764 | Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 914.00 |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dukiya | Daraja | Tushen yanayi |
Wuri Mai Girma | 203 A2 | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra akwai
1 H NMR
13 C NMR
Tushen Bayanin Hazard na Code | |
H302 Yana da illa idan an haɗiye shi | Rarraba Hukumar Kula da Sinadarai ta Turai (ECHA) & Lakabi Inventory - Sanarwa Rarrabawa da lakabi - sanarwar da aka fi sani, Hukumar Kula da Sinadarai ta Turai (ECHA) Rabewa&Kyakkyawan Lakabi - Faɗakarwar Rarrabawa da Lakabi - sanarwa mafi mahimmanci |