![C39H46FN4O8P Ûrîdîn, 5' -O- [bis(4-metoksîfenîl)fenîlmethyl]-2' -deoksî-2' – fluoro-, 3’ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI )](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39H46FN4O8P Ûrîdîn, 5' -O- [bis(4-metoksîfenîl)fenîlmethyl]-2' -deoksî-2' – fluoro-, 3’ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI ) Wêne diyarkirî](https://cdn.globalso.com/nvchem/C39H46FN4O8P-Uridine.png)
C39H46FN4O8P Ûrîdîn, 5' -O- [bis(4-metoksîfenîl)fenîlmethyl]-2' -deoksî-2' – fluoro-, 3’ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI )
Hejmara qeydê ya CAS
146954-75-8
| Taybetmendiyên fizîkî yên sereke | Giranî | Rewş |
| Giraniya molekulî | 748.78 | - |
| pKa (Pêşbînî kirin) | 9,39±0,10 | 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(= O)NC5=O)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)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C= C4)C5=CC=CC =C5
InChI
InChI= 1S/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-24-10-22-41)52-36-33(51-37(35(36)40)43-23- 21-34 (45) 42-38 (43) 46) 25-49-39 (28-11 -8-7-9-12-28,29-13-17-31(47-5)18-14-29)30-15-19-32(48-6)20-16-3 0/h7-9,11-21,23,26-27,33,35-37H,10,24-25H2,1-6H3,(H,42,45,46)/t3 3-,35-,36-,37-,53?/m1/s1
InChI Key
HQHQPAYRJJMYQX-DJTPZYMWSA-N
1 Navê din ji bo vê madeyê
Uridine, 5′ -O- [bis(4-metoksîfenîl) fenîlmetîl]-2' -deoksî-2' -fluoro-, 3' - [2-sîanoetîl bis(1-metîlîtîl) fosforamidît] (9CI)
Taybetmendiyên berdest
Biyolojîkî
Şîmyakî
Lipinski
Structure Related
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 457 | pH 1; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 3690 | pH 2; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 27700 | pH 3; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 82900 | pH 4; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,04 x 105 | pH 5; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,06 x 105 | pH 6; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,06 x 105 | pH 7; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,02 x 105 | pH 8; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 76200 | pH 9; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 22000 | 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 592 pH 1; Germ: 25 °C (1) ACD |
| Koc 4790 pH 2; Germ: 25 °C (1) ACD |
| Koc 36000 pH 3; Germ: 25 °C (1) ACD |
| Koc 1,07 x 105 pH 4; Germ: 25 °C (1) ACD |
| Koc 1,34 x 105 pH 5; Germ: 25 °C (1) ACD |
| Koc 1,38 x 105 pH 6; Germ: 25 °C (1) ACD |
| Koc 1,37 x 105 pH 7; Germ: 25 °C (1) ACD |
| Koc 1,33 x 105 pH 8; Germ: 25 °C (1) ACD |
| Koc 98800 pH 9; Germ: 25 °C (1) ACD |
| Koc 28600 pH 10; Germ: 25 °C (1) ACD |
| logD 4,55 pH 1; Germ: 25 °C (1) ACD |
| logD 5,46 pH 2; Germ: 25 °C (1) ACD |
| logD 6,33 pH 3; Germ: 25 °C (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| logD | 6.81 | pH 4; Germ: 25 °C | (1) ACD |
| logD | 6.91 | pH 5; Germ: 25 °C | (1) ACD |
| logD | 6.92 | pH 6; Germ: 25 °C | (1) ACD |
| logD | 6.92 | pH 7; Germ: 25 °C | (1) ACD |
| logD | 6.90 | pH 8; Germ: 25 °C | (1) ACD |
| logD | 6.77 | pH 9; Germ: 25 °C | (1) ACD |
| logD | 6.23 | pH 10; Germ: 25 °C | (1) ACD |
| logP | 6.918±0.641 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 2,2 x 10-5 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,1 x 10-3 g/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 6,3 x 10-4 g/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 8,2 x 10-5 g/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 2,8 x 10-5 g/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 2,2 x 10-5 g/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 2,2 x 10-5 g/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 2,2 x 10-5 g/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 2,2 x 10-5 g/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,0 x 10-5 g/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,0 x 10-4 g/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 2,2 x 10-5 g/L | pH ava nebuffered 7,00; Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 2,9 x 10-8 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 6,8 x 10-6 mol/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 8,4 x 10-7 mol/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,1 x 10-7 mol/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 3,7 x 10-8 mol/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 3,0 x 10-8 mol/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,9 x 10-8 mol/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,9 x 10-8 mol/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 3,0 x 10-8 mol/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 4,0 x 10-8 mol/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,4 x 10-7 mol/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,9 x 10-8 mol/L | pH ava nebuffered 7,00; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Giraniya molekulî | 748.78 | ||
| pKa | 9,39±0,10 | Germahiya herî asîdî: 25 °C | (1) ACD |
| pKa | 3,45±0,70 | 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 | 17 | (1) ACD | |
| H Qebûrker | 12 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor / Qebûl Sum | 13 | (1) ACD | |
| logP | 6.918±0.641 | Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 748.78 |
(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 | 145 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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