![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) Featured Image](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)
Numero ng rehistro ng CAS
146954-75-8
| Mga pangunahing katangian ng pisikal | Halaga | Kundisyon |
| Molekular na timbang | 748.78 | - |
| pka (hinulaang) | 9.39 ± 0.10 | Karamihan sa acidic temp: 25 ° C. |
Canonical smiles
N#CCCOP (OC1C (F) C (OC1COC (C = 2C = CC = CC2) (C3 = CC = C (OC) C = CC (= O) NC5 = O) N (C) C) C) C (C) C.
Ngumiti si Isomeric
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) c4)
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) 20-16-30/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 iba pang pangalan para sa sangkap na ito
Uridine, 5 ′ -O-.
Magagamit ang mga pag -aari
Biological
Kemikal
Lipinski
May kaugnayan sa istraktura
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Bioconcentration factor | 457 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 3690 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 27700 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 82900 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.04 x 105 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.06 x 105 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.06 x 105 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.02 x 105 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 76200 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 22000 | Ph 10; Temp: 25 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Pinagmulan ng Halaga ng Kondisyon ng Pag -aari |
| KOC 592 PH 1; Temp: 25 ° C (1) ACD |
| KOC 4790 PH 2; Temp: 25 ° C (1) ACD |
| KOC 36000 PH 3; Temp: 25 ° C (1) ACD |
| KOC 1.07 x 105 pH 4; Temp: 25 ° C (1) ACD |
| KOC 1.34 x 105 pH 5; Temp: 25 ° C (1) ACD |
| KOC 1.38 x 105 pH 6; Temp: 25 ° C (1) ACD |
| KOC 1.37 x 105 pH 7; Temp: 25 ° C (1) ACD |
| KOC 1.33 x 105 pH 8; Temp: 25 ° C (1) ACD |
| KOC 98800 PH 9; Temp: 25 ° C (1) ACD |
| KOC 28600 PH 10; Temp: 25 ° C (1) ACD |
| logd 4.55 pH 1; Temp: 25 ° C (1) ACD |
| logd 5.46 pH 2; Temp: 25 ° C (1) ACD |
| logd 6.33 pH 3; Temp: 25 ° C (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| logd | 6.81 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | 6.91 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | 6.92 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | 6.92 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | 6.90 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | 6.77 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | 6.23 | Ph 10; Temp: 25 ° C. | (1) ACD |
| Logp | 6.918 ± 0.641 | Temp: 25 ° C. | (1) ACD |
| Mass intrinsic solubility | 2.2 x 10-5 g/l | Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 5.1 x 10-3 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 6.3 x 10-4 g/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 8.2 x 10-5 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 2.8 x 10-5 g/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 2.2 x 10-5 g/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 2.2 x 10-5 g/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 2.2 x 10-5 g/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 2.2 x 10-5 g/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.0 x 10-5 g/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.0 x 10-4 g/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 2.2 x 10-5 g/l | Hindi nabuong tubig pH 7.00; Temp: 25 ° C. | (1) ACD |
| Molar intrinsic solubility | 2.9 x 10-8 mol/l | Temp: 25 ° C. | (1) ACD |
| Molar solubility | 6.8 x 10-6 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 8.4 x 10-7 mol/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.1 x 10-7 mol/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 3.7 x 10-8 mol/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 3.0 x 10-8 mol/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.9 x 10-8 mol/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.9 x 10-8 mol/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 3.0 x 10-8 mol/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 4.0 x 10-8 mol/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.4 x 10-7 mol/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.9 x 10-8 mol/l | Hindi nabuong tubig pH 7.00; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Molekular na timbang | 748.78 | ||
| PKA | 9.39 ± 0.10 | Karamihan sa acidic temp: 25 ° C. | (1) ACD |
| PKA | 3.45 ± 0.70 | Karamihan sa mga pangunahing temp: 25 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Malayang rotatable bond | 17 | (1) ACD | |
| H Mga Tanggap | 12 | (1) ACD | |
| H donor | 1 | (1) ACD | |
| H Donor/Acceptor Sum | 13 | (1) ACD | |
| Logp | 6.918 ± 0.641 | Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 748.78 |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Ari -arian | Halaga | Mapagkukunan ng kondisyon |
| Polar Surface Area | 145 A2 | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
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