C50H58N7O9P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′- O- (2-methoxyethyl) -, 3′- [2-cyanoethyl N, N-bis (1-methylethyl). phosphoramidite] (ACI)

samfur

C50H58N7O9P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′- O- (2-methoxyethyl) -, 3′- [2-cyanoethyl N, N-bis (1-methylethyl). phosphoramidite] (ACI)

Bayanan asali:


Cikakken Bayani

Tags samfurin

Bayanin Abu

Lambar Rijistar CAS

251647-53-7

H302

Mabuɗin Abubuwan Jiki Daraja Sharadi
Nauyin Kwayoyin Halitta 932.01 -
pKa (An annabta) 7.87± 0.43 Mafi yawan zafin jiki: 25 ° C

Sauran Sunaye da Masu Ganewa

MURMUSHI na Canonical

N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1OCCOC)COC(C=5C=CC=CC5)(C6=CC=C) (OC)C=C6)C7=CC=C(OC)C=C7)N(C(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)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)(C5=CC=C(OC)C=C5)(C6=CC) =C(OC)C=C6)C7=CC=CC=C7

InChi

InChi= 1S/C50H58N7O9P/c1-34(2)57(35(3)4)67(64-28-14-27-51)66-44-42(31-63-50(37-17-12-) 9-13-18-37,38-19-23-40(60-6)24-20-38) 3 9-21-25-41(61-7)26-22-39)65-49(45) (44)62-30-29-59-5)56-33-54-43-46(52-32-53-47(43)56)55-48(58)36-15-10-8-11 -16-36/h8-13,15-26, 32-35,42,44-45,49H,14,28-31H2,1-7H3,(H,52,53,55,58)/t42-, 44-,45-,49-,67?/m1/s1

InChi Key

VBYBQBHLYRLHG-HDMAWCRFSA-N

16 Wasu Sunaye na wannan Abu

Adenosine,Nbenzoyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O(2-methoxyethyl) -, 3'- [2-cyanoethyl bis (1-methylethyl)

phosphoramite] (9CI);16: PN: US20030211606 SHAFI: 19 da'awar jerin;16: PN: US20030212017 SHAFI: 20 da'awar jerin;17: PN: US20040005569 SHAFI: 22 da'awar jeri;19: PN: US20040006030 SHAFI: 23 da'awar jerin;19: PN: US20040014047

SHAFI: 21 da'awar jerin;19: PN: US20040014049 SHAFI: 21 da'awar jerin;20: PN: US20040005570 SHAFI: 20 da'awar

jerin;20: PN: US20040014048 SHAFI: 21 da'awar jerin;20: PN: US20040014050 SHAFI: 20 da'awar jerin;21: PN: ku

S20040005565 SHAFI: 17- 22 da'awar jeri;21: PN: US20040014051 SHAFI: 23 da'awar jeri;22: PN: US20040014699 SHAFI: 20 da'awar jeri;23: PN: US20040006029 SHAFI: 23 da'awar jeri;23: PN: WO03106645 SHAFI: 73 da'awar jeri;94: P N: US20040005707 SHAFI: 20 da'awar jeri

Spectra na Gwaji

Spectra akwai
1 H NMR
13 C NMR
Farashin NMR

Abubuwan Hasashen

Properties akwai
Halittu
Chemical
Lipinski
Tsarin Yanayi

Halittu

Dukiya Daraja Sharadi Source
Factor na Bioconcentration 2680 pH da 1;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 71500 pH da 2;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 7.21 x 105 pH da 3;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.00 x 106 pH da 4;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.00 x 106 pH da 5;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.00 x 106 pH da 6;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.00 x 106 pH da 7;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 8.48 x 105 pH da 8;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.39 x 105 pH da 9;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 40300 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 1360 pH da 1;Zazzabi: 25 ° C (1) ACD
Koc 36300 pH da 2;Zazzabi: 25 ° C (1) ACD
Koc 3.66 x 105 pH da 3;Zazzabi: 25 ° C (1) ACD
Koc 1.13 x 106 pH da 4;Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
Koc 1.42 x 106 pH da 5;Zazzabi: 25 ° C (1) ACD
Koc 1.42 x 106 pH da 6;Zazzabi: 25 ° C (1) ACD
Koc 1.17 x 106 pH da 7;Zazzabi: 25 ° C (1) ACD
Koc 4.30 x 105 pH da 8;Zazzabi: 25 ° C (1) ACD
Koc 70800 pH da 9;Zazzabi: 25 ° C (1) ACD
Koc 20500 pH 10;Zazzabi: 25 ° C (1) ACD
logD 5.77 pH da 1;Zazzabi: 25 ° C (1) ACD
logD 7.20 pH da 2;Zazzabi: 25 ° C (1) ACD
logD 8.20 pH da 3;Zazzabi: 25 ° C (1) ACD
logD 8.69 pH da 4;Zazzabi: 25 ° C (1) ACD
logD 8.79 pH da 5;Zazzabi: 25 ° C (1) ACD
logD 8.79 pH da 6;Zazzabi: 25 ° C (1) ACD
logD 8.71 pH da 7;Zazzabi: 25 ° C (1) ACD
logD 8.27 pH da 8;Zazzabi: 25 ° C (1) ACD
logD 7.49 pH da 9;Zazzabi: 25 ° C (1) ACD
logD 6.95 pH 10;Zazzabi: 25 ° C (1) ACD
logP 8.803± 0.766 Zazzabi: 25 ° C (1) ACD
Mass Intrinsic Solubility 5.4 x 10-5 g/L Zazzabi: 25 ° C (1) ACD
Mass Solubility 0.051 g/L pH da 1;Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.9 x 10-3 g/L pH da 2;Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.9 x 10-4 g/L pH da 3;Zazzabi: 25 ° C (1) ACD
Mass Solubility 6.0 x 10-5 g/L pH da 4;Zazzabi: 25 ° C (1) ACD
Mass Solubility 4.8 x 10-5 g/L pH da 5;Zazzabi: 25 ° C (1) ACD
Mass Solubility 4.8 x 10-5 g/L pH da 6;Zazzabi: 25 ° C (1) ACD
Mass Solubility 5.8 x 10-5 g/L pH da 7;Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.6 x 10-4 g/L pH da 8;Zazzabi: 25 ° C (1) ACD
Mass Solubility 9.3 x 10-4 g/L pH da 9;Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.6 x 10-3 g/L pH 10;Zazzabi: 25 ° C (1) ACD
Mass Solubility 5.7 x 10-5 g/L Ruwan da ba a buƙata ba pH 6.97;Zazzabi: 25 ° C (1) ACD
Solubility na Ciki na Molar 5.8 x 10-8 mol/L Zazzabi: 25 ° C (1) ACD
Solubility na Molar 5.5 x 10-5 mol/L pH da 1;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 2.0 x 10-6 mol/L pH da 2;Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
Solubility na Molar 2.0 x 10-7 mol/L pH da 3;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 6.4 x 10-8 mol/L pH da 4;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 5.1 x 10-8 mol/L pH da 5;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 5.1 x 10-8 mol/L pH da 6;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 6.2 x 10-8 mol/L pH da 7;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.7 x 10-7 mol/L pH da 8;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.0 x 10-6 mol/L pH da 9;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 3.9 x 10-6 mol/L pH 10;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 6.1 x 10-8 mol/L Ruwan da ba a buƙata ba pH 6.97;Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 932.01    
pKa 7.87± 0.43 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 16   (1) ACD
H Masu Ba da taimako 1   (1) ACD
H Donor/Acceptor Sum 17   (1) ACD
logP 8.803± 0.766 Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 932.01    

(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 187 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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