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)

samfur

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)

Bayanan asali:


Cikakken Bayani

Tags samfurin

Bayanin Abu

Lambar Rijistar CAS

251647-55-9

H302

Mabuɗin Abubuwan Jiki Daraja Sharadi
Nauyin Kwayoyin Halitta 914.00 -
pKa (An annabta) 9.16 ± 0.20 Mafi yawan zafin jiki: 25 ° C

Sauran Sunaye da Masu Ganewa

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-) 14-11-10-12-15-33,34-16-20-36(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 jerin; 24: PN: US20040014699 SHAFI: 21 da'awar jerin; 25: PN: US20040006029 SHAFI: 23 da'awar jeri; 25: PN: WO03106645 SHAFI: 73 da'awar jeri; 96: PN: US20040005707 SHAFI: 21 da'awar jeri

Spectra na Gwaji

Spectra akwai
13 C NMR
Farashin NMR

Kayayyakin Hasashen

Properties akwai
Halittu
Chemical
Lipinski
Tsarin Yanayi

Halittu

Dukiya Daraja Sharadi 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)

Chemical

Dukiya Daraja Sharadi 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 Sharadi 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 Sharadi 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)

Lipinski

Dukiya Daraja Sharadi 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)

Tsarin Yanayi

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 da aka annabta

Spectra akwai
1 H NMR
13 C NMR

Bayanin Hazard na GHS

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


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