![URIDINE C39H46FN4O8P, 5 ′ -O- [bis (4-metoxyphenyl) fenilmethyl] -2 ′ -deoxy-2 ′ - fluoro-, 3 ′ - [2-cyanoethyl N, N-Bis (1-methyletil) fosforamidita] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39H46FN4O8P URIDINE, 5 ′ -O- [bis (4-metoxyphenyl) fenilmetil] -2 ′ -Deoxy-2 ′ - Fluoro-, 3 ′ - [2-cyanoethyl N, N-Bis (1-methyletil) fosforamidita] (ACI)](https://cdn.globalso.com/nvchem/C39H46FN4O8P-Uridine.png)
URIDINE C39H46FN4O8P, 5 ′ -O- [bis (4-metoxyphenyl) fenilmethyl] -2 ′ -deoxy-2 ′ - fluoro-, 3 ′ - [2-cyanoethyl N, N-Bis (1-methyletil) fosforamidita] (ACI)
Numru tar-Reġistru CAS
146954-75-8
| Propjetajiet fiżiċi ewlenin | Valur | Kundizzjoni |
| Piż molekulari | 748.78 | - |
| PKA (imbassar) | 9.39 ± 0.10 | L-iktar temp aċiduż: 25 ° C |
Tbissim kanoniku
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.
Tbissim isomeriku
C (oc [c @@ h] 1 [c @@ h] (op (n (n (c (c) c) c (c) c) occc # n) [c @@ h] (f) [c @@ h] (o1) n2c (= o) nc (= o) C = c2 = c2) (c3 = cc = c (oc) c = c3) (c4 = cc = oc) c = 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 (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 / H7-911-2123,26-26-26-26-26-26-26-26-26-26-26-26-26-27,3333,35-37H, 10,24-24-24-24-24-24-24-24-24-25h2,1-6H3, (H, 42,45,46) / T3 3-, 35-, 36-, 37-, 53? / M1 / S1
INCHI Key
HQHQPAYRJMYQX-DJTPZYMWSA-N
1 Isem ieħor għal din is-sustanza
Uridine, 5 ′ -O- [bis (4-metoxyphenyl) fenilmethyl] -2 ′ -deoxy-2 ′ -fluoro-, 3 ′ - [2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9CI) (9CI)
Proprjetajiet disponibbli
Bijoloġiku
Kimika
Lipinski
Struttura relatata
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-bijokonċentrazzjoni | 457 | pH 1; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 3690 | pH 2; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 27700 | pH 3; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 82900 | pH 4; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.04 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.06 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.06 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.02 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 76200 | pH 9; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 22000 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Sors tal-Kundizzjoni tal-Valur tal-Propjetà |
| 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 |
| Proprjetà | Valur | Kundizzjoni | Sors |
| 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 |
| Solubilità intrinsika tal-massa | 2.2 x 10-5 g / l | Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 5.1 x 10-3 g / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 6.3 x 10-4 g / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 8.2 x 10-5 g / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 2.8 x 10-5 g / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 2.2 x 10-5 g / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 2.2 x 10-5 g / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 2.2 x 10-5 g / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 2.2 x 10-5 g / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 3.0 x 10-5 g / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 1.0 x 10-4 g / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 2.2 x 10-5 g / l | PH tal-ilma mhux imballat 7.00; Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika molari | 2.9 x 10-8 mol / l | Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 6.8 x 10-6 mol / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 8.4 x 10-7 mol / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.1 x 10-7 mol / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 3.7 x 10-8 mol / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 3.0 x 10-8 mol / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.9 x 10-8 mol / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.9 x 10-8 mol / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 3.0 x 10-8 mol / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 4.0 x 10-8 mol / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.4 x 10-7 mol / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 2.9 x 10-8 mol / l | PH tal-ilma mhux imballat 7.00; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Piż molekulari | 748.78 | ||
| PKA | 9.39 ± 0.10 | L-iktar temp aċiduż: 25 ° C | (1) ACD |
| PKA | 3.45 ± 0.70 | L-iktar temp bażiku: 25 ° C | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Proprjetà | Valur | Kundizzjoni | Sors |
| Bonds li jduru liberament | 17 | (1) ACD | |
| H aċċettaturi | 12 | (1) ACD | |
| H donaturi | 1 | (1) ACD | |
| H Donatur / Aċċettatur Somma | 13 | (1) ACD | |
| logp | 6.918 ± 0.641 | Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 748.78 |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Proprjetà | Valur | Sors tal-kundizzjoni |
| Erja tal-wiċċ polari | 145 A2 | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
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