C45H56N7O9P Guanosin, 5'-O- [bis(4-methoxyphenyl) phenylmethyl]-2'-O-methyl- N- (2-methyl-1-oxopropyl) -, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite] (ACI)

samfur

C45H56N7O9P Guanosin, 5'-O- [bis(4-methoxyphenyl) phenylmethyl]-2'-O-methyl- N- (2-methyl-1-oxopropyl) -, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite] (ACI)

Bayanan asali:


Cikakken Bayani

Tags samfurin

Bayanin Abu

Lambar Rijistar CAS

150780-67-9

H303

Mabuɗin Abubuwan Jiki Daraja Sharadi
Nauyin Kwayoyin Halitta 869.94 -
pKa (An annabta) 9.16 ± 0.20 Mafi yawan zafin jiki: 25 ° C

Sauran Sunaye da Masu Ganewa

N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OC)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/C45H56N7O9P/c1-28(2)41(53)49-44-48-40-37(42(54)50-44)47-27-51(40)43-39(57-9) 38 (61-62 (59-25-13-24-)

46)52 (29 (3)4)30 (5)6)36 (60-43)26-58-45 (31-14-11-10-12-15-31,32-1) 6-20-34 (55-7)21-17-32)33-18-22-35(56-8)23-19-33/h10-12,14-23,27 -30,36,38-39,43H,13,25-26H2,1-9H3,(H2,48,49,50,53,54)/t36-,38-,39-,43-,62?/ m1/s1

InChi Key

IRRDHRZUOZNWDJ-MLLDKZSOSA-N

1 Wani Sunan Wannan Abu

Guanosin, 5'-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl-N(2-methyl-1-oxopropyl) -, 3'- [2-cyanoethyl bis (1-methylethyl) phosphoramite] (9CI)

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 183 pH da 1; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 3890 pH da 2; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 35500 pH da 3; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.08 x 105 pH da 4; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.36 x 105 pH da 5; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.39 x 105 pH da 6; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.38 x 105 pH da 7; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.24 x 105 pH da 8; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 63600 pH da 9; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 11900 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 220 pH da 1; Zazzabi: 25 ° C (1) ACD
Koc 4680 pH da 2; Zazzabi: 25 ° C (1) ACD
Koc 42600 pH da 3; Zazzabi: 25 ° C (1) ACD
Koc 1.30 x 105 pH da 4; Zazzabi: 25 ° C (1) ACD
Koc 1.63 x 105 pH da 5; Zazzabi: 25 ° C (1) ACD
Koc 1.67 x 105 pH da 6; Zazzabi: 25 ° C (1) ACD
Koc 1.65 x 105 pH da 7; Zazzabi: 25 ° C (1) ACD
Koc 1.49 x 105 pH da 8; Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
Koc 76400 pH da 9; Zazzabi: 25 ° C (1) ACD
Koc 14200 pH 10; Zazzabi: 25 ° C (1) ACD
logD 4.19 pH da 1; Zazzabi: 25 ° C (1) ACD
logD 5.52 pH da 2; Zazzabi: 25 ° C (1) ACD
logD 6.48 pH da 3; Zazzabi: 25 ° C (1) ACD
logD 6.96 pH da 4; Zazzabi: 25 ° C (1) ACD
logD 7.06 pH da 5; Zazzabi: 25 ° C (1) ACD
logD 7.07 pH da 6; Zazzabi: 25 ° C (1) ACD
logD 7.07 pH da 7; Zazzabi: 25 ° C (1) ACD
logD 7.02 pH da 8; Zazzabi: 25 ° C (1) ACD
logD 6.73 pH da 9; Zazzabi: 25 ° C (1) ACD
logD 6.00 pH 10; Zazzabi: 25 ° C (1) ACD
logP 7.072± 0.721 Zazzabi: 25 ° C (1) ACD
Mass Intrinsic Solubility 1.2 x 10-4 g/L Zazzabi: 25 ° C (1) ACD
Mass Solubility 0.096 g/L pH da 1; Zazzabi: 25 ° C (1) ACD
Mass Solubility 4.3 x 10-3 g/L pH da 2; Zazzabi: 25 ° C (1) ACD
Mass Solubility 4.8 x 10-4 g/L pH da 3; Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.6 x 10-4 g/L pH da 4; Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.2 x 10-4 g/L pH da 5; Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.2 x 10-4 g/L pH da 6; Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.2 x 10-4 g/L pH da 7; Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.4 x 10-4 g/L pH da 8; Zazzabi: 25 ° C (1) ACD
Mass Solubility 2.7 x 10-4 g/L pH da 9; Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.4 x 10-3 g/L pH 10; Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.2 x 10-4 g/L Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C (1) ACD
Solubility na Ciki na Molar 1.4 x 10-7 mol/L Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.1 x 10-4 mol/L pH da 1; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 5.0 x 10-6 mol/L pH da 2; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 5.5 x 10-7 mol/L pH da 3; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.8 x 10-7 mol/L pH da 4; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.4 x 10-7 mol/L pH da 5; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.4 x 10-7 mol/L pH da 6; Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
Solubility na Molar 1.4 x 10-7 mol/L pH da 7; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.6 x 10-7 mol/L pH da 8; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 3.1 x 10-7 mol/L pH da 9; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.6 x 10-6 mol/L pH 10; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.4 x 10-7 mol/L Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 869.94    
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 19   (1) ACD
H Masu karɓa 16   (1) ACD
H Masu Ba da taimako 2   (1) ACD
H Donor/Acceptor Sum 18   (1) ACD
logP 7.072± 0.721 Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 869.94    

(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 194 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

Lambar Bayanin Hazard Source
H303 Zai iya zama cutarwa idan an haɗiye shi Kwararre Cuted

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