![C41H49FN5O8P Cytidine, N-acetîl-5' -O- [bis(4-metoksîfenîl)fenîlmetîl]-2' – deoksî-2' -fluoro-, 3' – [2-cyanoethyl N,N-bis(1-methylethyl) fosfor amîdît] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H49FN5O8P Cytidine, N-acetîl-5' -O- [bis(4-metoksîfenîl)fenîlmetîl]-2' – deoksî-2' -fluoro-, 3' – [2-cyanoethyl N,N-bis(1-methylethyl) phosphor amidite] (ACI) Wêne taybetmendî](https://cdn.globalso.com/nvchem/C41H49FN5O8P-Cytidine.png)
C41H49FN5O8P Cytidine, N-acetîl-5' -O- [bis(4-metoksîfenîl)fenîlmetîl]-2' – deoksî-2' -fluoro-, 3' – [2-cyanoethyl N,N-bis(1-methylethyl) fosfor amîdît] (ACI)
Hejmara qeydê ya CAS
159414-99-0
| Taybetmendiyên fizîkî yên sereke | Giranî | Rewş |
| Giraniya molekulî | 789.83 | - |
| pKa (Pêşbînî kirin) | 10,11±0,20 | Germahiya herî asîdî: 25 °C |
SMILES Canonical
N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=CC(= NC5=O)NC(=O)C)N(C(C)C)C(C)C
SMILES Îzomerî
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](F)[C@@ H](O1)N2C(=O)N=C(NC(C)=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C (OC)C=C4)C5=CC=CC=C5
InChI
InChI= 1S/C41H49FN5O8P/c1-27(2)47(28(3)4)56(53-25-11-23-43)55-38-35(54-39(37(38)42)46-24- 22-36 (44-29 (5) 48) 45-40 (46) 49) 26-52- 41(30-12-9-8-10-13-30,31-14-18-33(50-6)19-15-31)32-16-20-34(51 -7)21-17-32/h8-10,12-22,24,27-28,35,37-39H,11,25-26H2,1-7H3,(H, 44,45,48,49)/t35-,37-,38-,39-,56?/m1/s1
InChI Key
CNFKJHKDSRXNFL-UTXREMQHSA-N
1 Navê din ji bo vê madeyê
Cytidine,N-acetil-5′-O- [bis(4-metoksîfenîl) fenîlmetîl]-2' -deoksî-2' -fluoro-, 3' - [2-sîanoetîl bis(1-metîlîtîl) fosfor amîdît] (9CI)
Spectra heye
Gel
Taybetmendiyên berdest
Biyolojîkî
Şîmyakî
Lipinski
Structure Related
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 8.60 | pH 1; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 90.3 | pH 2; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 3940 | pH 3; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 39100 | pH 4; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 64300 | pH 5; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 68100 | pH 6; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 68300 | pH 7; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 66800 | pH 8; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 54300 | pH 9; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 19200 | pH 10; Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Giranî | Rewş | Kanî |
| Koc | 12.6 | pH 1; Germ: 25 °C | (1) ACD |
| Koc | 133 | pH 2; Germ: 25 °C | (1) ACD |
| Koc | 5790 | pH 3; Germ: 25 °C | (1) ACD |
| Koc | 57400 | pH 4; Germ: 25 °C | (1) ACD |
| Koc | 94500 | pH 5; Germ: 25 °C | (1) ACD |
| Koc | 1,00 x 105 | pH 6; Germ: 25 °C | (1) ACD |
| Koc | 1,00 x 105 | pH 7; Germ: 25 °C | (1) ACD |
| Koc | 98200 | pH 8; Germ: 25 °C | (1) ACD |
| Koc | 79700 | pH 9; Germ: 25 °C | (1) ACD |
| Koc | 28200 | pH 10; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| logD | 2.76 | pH 1; Germ: 25 °C | (1) ACD |
| logD | 3.79 | pH 2; Germ: 25 °C | (1) ACD |
| logD | 5.43 | pH 3; Germ: 25 °C | (1) ACD |
| logD | 6.42 | pH 4; Germ: 25 °C | (1) ACD |
| logD | 6.64 | pH 5; Germ: 25 °C | (1) ACD |
| logD | 6.66 | pH 6; Germ: 25 °C | (1) ACD |
| logD | 6.66 | pH 7; Germ: 25 °C | (1) ACD |
| logD | 6.65 | pH 8; Germ: 25 °C | (1) ACD |
| logD | 6.56 | pH 9; Germ: 25 °C | (1) ACD |
| logD | 6.11 | pH 10; Germ: 25 °C | (1) ACD |
| logP | 6,666±0,764 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 4,5 x 10-5 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,36 g/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,035 g/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 7,90 x 10-4 g/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 7,9 x 10-5 g/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,8 x 10-5 g/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,6 x 10-5 g/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,6 x 10-5 g/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,7 x 10-5 g/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,7 x 10-5 g/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,6 x 10-4 g/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,6 x 10-5 g/L | pH ava nebuffered 7,00; Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 5,7 x 10-8 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 4,6 x 10-4 mol/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 4,4 x 10-5 mol/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,00 x 10-6 mol/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,0 x 10-7 mol/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 6,1 x 10-8 mol/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 5,8 x 10-8 mol/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 5,8 x 10-8 mol/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 5,9 x 10-8 mol/L | pH 8; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Çareseriya Molar | 7,2 x 10-8 mol/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,0 x 10-7 mol/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 5,8 x 10-8 mol/L | pH ava nebuffered 7,00; Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 789.83 | ||
| pKa | 10,11±0,20 | Germahiya herî asîdî: 25 °C | (1) ACD |
| pKa | 3,57±0,20 | Germahiya herî bingehîn: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Giranî | Çavkaniya Rewşa |
| Qada Rûyê Polar | 158 A2 | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
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