![C39H46FN4O8P Uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-deoxy-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 Uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-deoxy-2′ – fluoro-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI) ) Aworan Afihan](https://cdn.globalso.com/nvchem/C39H46FN4O8P-Uridine.png)
C39H46FN4O8P Uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-deoxy-2′ – fluoro-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI) )
Nọmba iforukọsilẹ CAS
146954-75-8
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 748.78 | - |
| pKa (Asọtẹlẹ) | 9.39 ± 0.10 | Pupọ Epo otutu: 25 °C |
Ẹ̀RẸ̀ KẸ̀LẸ̀
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
ISOMERIC SMILES
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 Oruko miiran fun Ohun elo yii
Uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2 '-deoxy-2' -fluoro-, 3'- [2-cyanoethyl bis (1-methylethyl) phosphoramite] (9CI)
Awọn ohun-ini ti o wa
Ti ibi
Kemikali
Lipinski
Ilana Jẹmọ
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 457 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 3690 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 27700 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 82900 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.04 x 105 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.06 x 105 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.06 x 105 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.02 x 105 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 76200 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 22000 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini Iye Ipò Orisun |
| Koc 592 pH 1; Iwọn otutu: 25 °C (1) ACD |
| Koc 4790 pH 2; Iwọn otutu: 25 °C (1) ACD |
| Koc 36000 pH 3; Iwọn otutu: 25 °C (1) ACD |
| Koc 1.07 x 105 pH 4; Iwọn otutu: 25 °C (1) ACD |
| Koc 1,34 x 105 pH 5; Iwọn otutu: 25 °C (1) ACD |
| Koc 1,38 x 105 pH 6; Iwọn otutu: 25 °C (1) ACD |
| Koc 1,37 x 105 pH 7; Iwọn otutu: 25 °C (1) ACD |
| Koc 1,33 x 105 pH 8; Iwọn otutu: 25 °C (1) ACD |
| Koc 98800 pH 9; Iwọn otutu: 25 °C (1) ACD |
| Koc 28600 pH 10; Iwọn otutu: 25 °C (1) ACD |
| logD 4,55 pH 1; Iwọn otutu: 25 °C (1) ACD |
| logD 5.46 pH 2; Iwọn otutu: 25 °C (1) ACD |
| logD 6,33 pH 3; Iwọn otutu: 25 °C (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| logD | 6.81 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.91 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.92 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.92 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.90 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.77 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.23 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logP | 6,918 ± 0.641 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isolubu Agbekale | 2.2 x 10-5 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.1 x 10-3 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 6,3 x 10-4 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 8.2 x 10-5 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 2,8 x 10-5 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 2.2 x 10-5 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 2.2 x 10-5 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 2.2 x 10-5 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 2.2 x 10-5 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.0 x 10-5 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1.0 x 10-4 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 2.2 x 10-5 g/L | Omi ti a ko fi silẹ pH 7.00; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 2.9 x 10-8 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 6.8 x 10-6 mol/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 8.4 x 10-7 mol/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-7 mol/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.7 x 10-8 mol/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.0 x 10-8 mol/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-8 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-8 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.0 x 10-8 mol/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 4.0 x 10-8 mol/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,4 x 10-7 mol / L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-8 mol/L | Omi ti a ko fi silẹ pH 7.00; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Òṣuwọn Molikula | 748.78 | ||
| pKa | 9.39 ± 0.10 | Pupọ Epo otutu: 25 °C | (1) ACD |
| pKa | 3,45 ± 0,70 | Pupọ Ipilẹ otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini | Iye | Ipo | Orisun |
| Larọwọto Rotatable Bonds | 17 | (1) ACD | |
| H Awọn olugba | 12 | (1) ACD | |
| H Awọn oluranlọwọ | 1 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 13 | (1) ACD | |
| logP | 6,918 ± 0.641 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 748.78 |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini | Iye | Orisun ipo |
| Pola dada Area | 145 A2 | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
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