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C53H66N7O8PSi CAS NON - [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite] (ACI)
Lambar Rijistar CAS
104992-55-4
| Mabuɗin Abubuwan Jiki | Daraja | Sharadi |
| Nauyin Kwayoyin Halitta | 988.19 | - |
| pKa (An annabta) | 7.87± 0.43 | Mafi yawan zafin jiki: 25 ° C |
MURMUSHI na Canonical
N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1O[Si](C)(C)C(C)(C)C COC (C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7= CC=C(OC)C=C7)N(C(C)C)C(C)C
MURMUSHI
C (OC [C@@H] 1[C@@H](OP(N(C(C))C)C (C)(C)C)(C)C)[C@@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/C53H66N7O8PSi/c1-36(2)60(37(3)4)69(65-32-18-31-54)67-46-44(33-64-53(39-21-16-) 13-17-22-39,40-23-27-42(62-8)28-24-40 )41-25-29-43(63-9)30-26-41)66-51(47) 46) 68-70 (10,11)52 (5,6)7)59-35-57-45-48 (55-34-56-49 (45)59)58-50 (61)38-19- 14-12-15-20-38/h1 2-17,19-30,34-37,44,46-47,51H,18,32-33H2,1-11H3,(H,55,56,58, 61)/t44-,46-,47-,51-,69?/m1/s1
InChi Key
FFXHNCNNHASXCT-RFMFGJHUSA-N
1 Wani Sunan Wannan Abu
Adenosine,Nbenzoyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O- [(1,1-dimethylethyl) dimethylsilyl] -, 3'- [2-cyanoethyl bis (1- methylethyl) phosphoramite] (9CI)
Spectra akwai
Mass
Properties akwai
Halittu
Chemical
Lipinski
Tsarin Yanayi
| Dukiya | Daraja | Sharadi | Source |
| Factor na Bioconcentration | 5.50 x 105 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.00 x 106 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.00 x 106 | 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 | 1.00 x 106 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.00 x 106 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.00 x 106 | 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 | Sharadi | Source |
| Koc | 61500 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.64 x 106 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.00 x 107 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.00 x 107 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.00 x 107 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.00 x 107 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.00 x 107 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.00 x 107 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Koc | 3.20 x 106 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| Koc | 9.24 x 105 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| logD | 8.81 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| logD | 10.24 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| logD | 11.24 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| logD | 11.73 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| logD | 11.83 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| logD | 11.83 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| logD | 11.75 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| logD | 11.31 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| logD | 10.53 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| logD | 9.99 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| logP | 11.845± 0.715 | Zazzabi: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 1.2 x 10-5 g/L | Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 3.5 x 10-3 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.1 x 10-4 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 9.9 x 10-6 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 3.4 x 10-6 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 2.7 x 10-6 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 2.7 x 10-6 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 3.2 x 10-6 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 8.9 x 10-6 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 6.3 x 10-5 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 4.2 x 10-4 g/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 3.2 x 10-6 g/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Ciki na Molar | 1.2 x 10-8 mol/L | Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 3.5 x 10-6 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.1 x 10-7 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.0 x 10-8 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 3.4 x 10-9 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.7 x 10-9 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.7 x 10-9 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 3.2 x 10-9 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| Solubility na Molar | 9.0 x 10-9 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 6.4 x 10-8 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 4.2 x 10-7 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 3.2 x 10-9 mol/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 988.19 | ||
| 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)
| Dukiya | Daraja | Sharadi | Source |
| Ƙimar Rarraba Kyauta | 21 | (1) ACD | |
| H Masu karɓa | 15 | (1) ACD | |
| H Masu Ba da taimako | 1 | (1) ACD | |
| H Donor/Acceptor Sum | 16 | (1) ACD | |
| logP | 11.845± 0.715 | Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 988.19 |
| Dukiya | Daraja | Tushen yanayi |
| Wuri Mai Girma | 178 A2 | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra akwai
1 H NMR
13 C NMR
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