![C39H46FN4O8P uridine, 5 ′ -O- [bis (4-metoxyphenyl) phenylmethyl] -2 ′ -deoxy-2 ′-fluoro-, 3 ′-[2-cyanoethyl N, N-BIS (1-methylethyl) phosphoramidite] (Acyanoethyl N, N-BIS (1-methylethyl) phosphoramidite] (Acioethyl N, N-BIS (1-methylethyl) phosphoramidite] (Acioethyl N, N-BIS (1-methylethyl) phosphoramidite) (Acioethyl 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-metoxyphenyl) phenylmethyl] -2 ′ -deoxy-2 ′-fluoro-, 3 ′-[2-cyanoethyl N, N-BIS (1-methylethyl) phosphoramidite] (Acyanoethyl N, N-BIS (1-methylethyl) phosphoramidite] (Acioethyl N, N-BIS (1-methylethyl) phosphoramidite] (Acioethyl N, N-BIS (1-methylethyl) phosphoramidite) (Acioethyl N, N-BIS (1-methylethyl) phosphoramidite) (Aci)
Nomor Registri CAS
146954-75-8
| Sifat fisik utama | Nilai | Kondisi |
| Berat molekul | 748.78 | - |
| pKa (diprediksi) | 9,39 ± 0,10 | Sebagian besar suhu asam: 25 ° C |
Senyum kanonik
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.
Senyum isomer
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 = c (oc) c = c3) (cc = c3) (c3 = cc = c = C (OC) C = C3) (C3 = C3) (C3 = CC = CC = C (OC) C = C3) (CC = C2 = C3)
Inci
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
Kunci Inchi
Hqhqpayrjjmyqx-djtpzymwsa-n
1 nama lain untuk zat ini
Uridine, 5 ′ -O-[BIS (4-methoxyphenyl) phenylmethyl] -2 ′ -deoxy-2 ′ -fluoro-, 3 ′-[2-cyanoethyl bis (1-methylethyl) fosforamidit] (9ci)
Properti tersedia
Biologis
Kimia
Lipinski
Terkait struktur
| Milik | Nilai | Kondisi | Sumber |
| Faktor biokonsentrasi | 457 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 3690 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 27700 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 82900 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.04 x 105 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.06 x 105 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.06 x 105 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 1.02 x 105 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 76200 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 22000 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Sumber Kondisi Nilai Properti |
| 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 |
| Milik | Nilai | Kondisi | Sumber |
| 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 |
| Kelarutan intrinsik massa | 2.2 x 10-5 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 5.1 x 10-3 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 6.3 x 10-4 g/L | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 8.2 x 10-5 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 2.8 x 10-5 g/L | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 2.2 x 10-5 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 2.2 x 10-5 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 2.2 x 10-5 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 2.2 x 10-5 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3.0 x 10-5 g/L | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1,0 x 10-4 g/L | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 2.2 x 10-5 g/l | Air PH 7.00 yang tidak terikat; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 2,9 x 10-8 mol/L | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 6,8 x 10-6 mol/L | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 8.4 x 10-7 mol/L | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.1 x 10-7 mol/L | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3,7 x 10-8 mol/L | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.0 x 10-8 mol/L | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2,9 x 10-8 mol/L | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2,9 x 10-8 mol/L | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.0 x 10-8 mol/L | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 4.0 x 10-8 mol/L | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1,4 x 10-7 mol/L | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2,9 x 10-8 mol/L | Air PH 7.00 yang tidak terikat; Temp: 25 ° C. | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Berat molekul | 748.78 | ||
| PKA | 9,39 ± 0,10 | Sebagian besar suhu asam: 25 ° C | (1) ACD |
| PKA | 3,45 ± 0,70 | Paling Basa Temp: 25 ° C | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Kondisi | Sumber |
| Ikatan yang dapat diputar secara bebas | 17 | (1) ACD | |
| H akseptor | 12 | (1) ACD | |
| H donor | 1 | (1) ACD | |
| H donor/jumlah akseptor | 13 | (1) ACD | |
| logp | 6.918 ± 0,641 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 748.78 |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Sumber Kondisi |
| Area Permukaan Kutub | 145 A2 | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
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