![C42H52N5O9P Cytidine, N-acetil-5' -O- [bis(4-methoxyphenyl)fenylmethyl]-2' -O-methyl-, 3' – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] ( ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C42H52N5O9P Cytidine, N-acetil-5' -O- [bis(4-methoxyphenyl)fenylmethyl]-2' -O-methyl-, 3' – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] ( ACI) Wêneyê Taybetmendî](https://www.csnvchem.com/uploads/C42H52N5O9P-Cytidine.png)
C42H52N5O9P Cytidine, N-acetil-5' -O- [bis(4-methoxyphenyl)fenylmethyl]-2' -O-methyl-, 3' – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] ( ACI)
Hejmara qeydê ya CAS
199593-09-4
| Taybetmendiyên fizîkî yên sereke | Giranî | Rewş |
| Giraniya molekulî | 801.87 | - |
| pKa (Pêşbînî kirin) | 10,18±0,20 | Germahiya herî asîdî: 25 °C |
SMILES Canonical
N#CCCOP(OC1C(OC(N2C=CC(= NC2=O)NC(=O)C)C1OC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5 =CC=C(OC)C=C5)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](OC)[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/C42H52N5O9P/c1-28(2)47(29(3)4)57(54-26-12-24-43)56-38-36(55-40(39(38)52-8) 46-25-23-37(44-30(5)48)45-41(46)49)27-53 -42(31-13-10-9-11-14-31,32-15-19- 34(50-6)20-16-32)33-17-21-35(51-7)22-18-33/h9-11,13-23,25,28-29,36,38-40H, 12,26-27H2,1-8H3,(H,44,45,48,49)/t36-,38-,39-,40-,57?/m1/s1
InChI Key
WNWUMIPFLOKTEZ-UAQIPLLRSA-N
1 Navê din ji bo vê madeyê
Cytidine,N-acetil-5′-O- [bis(4-metoksîfenîl)fenîlmethyl]-2'-O-methyl-, 3' - [2-cyanoethyl bis(1-methylethyl)phosphoramidite] (9CI)
Taybetmendiyên berdest
Biyolojîkî
Şîmyakî
Lipinski
Structure Related
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 4.77 | pH 1;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 50.1 | pH 2;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 2190 | pH 3;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 21700 | pH 4;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 35700 | pH 5;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 37800 | pH 6;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 37900 | pH 7;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 37300 | pH 8;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 31400 | pH 9;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 12300 | 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
| Çavkaniya Rewşa Nirxa Taybetmendiyê |
| Koc 8,29 pH 1;Germ: 25 °C (1) ACD |
| Koc 87.1 pH 2;Germ: 25 °C (1) ACD |
| Koc 3800 pH 3;Germ: 25 °C (1) ACD |
| Koc 37700 pH 4;Germ: 25 °C (1) ACD |
| Koc 62000 pH 5;Germ: 25 °C (1) ACD |
| Koc 65700 pH 6;Germ: 25 °C (1) ACD |
| Koc 65900 pH 7;Germ: 25 °C (1) ACD |
| Koc 64700 pH 8;Germ: 25 °C (1) ACD |
| Koc 54500 pH 9;Germ: 25 °C (1) ACD |
| Koc 21400 pH 10;Germ: 25 °C (1) ACD |
| logD 2,43 pH 1;Germ: 25 °C (1) ACD |
| logD 3,45 pH 2;Germ: 25 °C (1) ACD |
| logD 5,09 pH 3;Germ: 25 °C (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| logD | 6.09 | pH 4;Germ: 25 °C | (1) ACD |
| logD | 6.30 | pH 5;Germ: 25 °C | (1) ACD |
| logD | 6.33 | pH 6;Germ: 25 °C | (1) ACD |
| logD | 6.33 | pH 7;Germ: 25 °C | (1) ACD |
| logD | 6.32 | pH 8;Germ: 25 °C | (1) ACD |
| logD | 6.25 | pH 9;Germ: 25 °C | (1) ACD |
| logD | 5.84 | pH 10;Germ: 25 °C | (1) ACD |
| logP | 6,329±0,771 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 1,8 x 10-4 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,4 g/L | pH 1;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,14 g/L | pH 2;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,1 x 10-3 g/L | pH 3;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,2 x 10-4 g/L | pH 4;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,9 x 10-4 g/L | pH 5;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,8 x 10-4 g/L | pH 6;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,8 x 10-4 g/L | pH 7;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,8 x 10-4 g/L | pH 8;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 2,2 x 10-4 g/L | pH 9;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,6 x 10-4 g/L | pH 10;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,8 x 10-4 g/L | pH ava nebuffered 7,00;Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 2,3 x 10-7 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,8 x 10-3 mol/L | pH 1;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,7 x 10-4 mol/L | pH 2;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 3,9 x 10-6 mol/L | pH 3;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 4,0 x 10-7 mol/L | pH 4;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,4 x 10-7 mol/L | pH 5;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,3 x 10-7 mol/L | pH 6;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,3 x 10-7 mol/L | pH 7;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,3 x 10-7 mol/L | pH 8;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,8 x 10-7 mol/L | pH 9;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 7,0 x 10-7 mol/L | pH 10;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,3 x 10-7 mol/L | pH ava nebuffered 7,00;Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Giraniya molekulî | 801.87 | ||
| pKa | 10,18±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 | Rewş | Kanî |
| Bonds Bi Azadî Rotable | 18 | (1) ACD | |
| H Qebûrker | 14 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor / Qebûl Sum | 15 | (1) ACD | |
| logP | 6,329±0,771 | Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 801.87 |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Giranî | Çavkaniya şertê |
| Qada Rûyê Polar | 167 A2 | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Spectra heye
1H NMR
13C NMR
![C47H60N7O10P Guanosine, 5' -O- [bis(4-metoksîfenîl)fenîlmethyl]-2' -O-(2- metoksîetîl)-N-(2-methyl-1-oksopropil)-, 3' – [2-cyanoethyl N ,N-bis (1-methylethyl)phosphoramidite] (ACI)](https://www.csnvchem.com/uploads/C47H60N7O10P-Guanosine-300x300.png)
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![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)](https://www.csnvchem.com/uploads/C41H49FN5O8P-Cytidine-300x300.png)
![C48H54N7O8P Adenosine, N-benzoyl-5'-O- [bis(4-metoksîfenîl)fenîlmethyl]-2' – O-methyl-, 3' – [2-cyanoethyl N,N-bis(1-methylethyl)fosfor amidite] (ACI)](https://www.csnvchem.com/uploads/C48H54N7O8P-300x300.png)