![C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl)phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)](https://www.csnvchem.com/uploads/C40H49N4O9P-Uridine.png)
C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl)phosphoramidite] (ACI)
Nimewo Rejis CAS
110764-79-9
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Pwopriyete fizik kle yo | Valè | Kondisyon | |
| Pwa molekilè | 760,81 | - | |
| pKa (Prevwa) | 9.39±0.10 | Tanperati ki pi asid: 25 °C |
SORI Kanonik
N#CCCOP(OC1C(OC(N2C=CC(=O)NC2=O)C1OC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C( OC)C=C5)N(C(C)C)C(C)C
Souri izomerik
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OC)[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/C40H49N4O9P/c1-27(2)44(28(3)4)54(51-25-11-23-41)53-36-34(52-38(37(36)49-7)43- 24-22-35(45)42-39(43)46)26-50-40(29-1 2-9-8-10-13-29,30-14-18-32(47-5)19-15-30)31-16-20-33(48-6)21-17-31/h8- 10,12-22,24,27-28,34,36-38H,11,25-26H2,1-7H3,
(H,42,45,46)/t34-,36-,37-,38-,54?/m1/s1
InChI kle
UVUOJOLPNDCIHL-XKZJCBTISA-N
1 Lòt Non pou sibstans sa a
Oridin, 5′ -O- [bis(4-metoksifenil)fenilmetil]-2′ -O-methyl-, 3′ - [2-cyanoethyl bis (1-methylethyl)fosforamidit] (9CI)
Spectre ki disponib
Mass
Pwopriyete ki disponib
Byolojik
Chimik
Lipinski
Estrikti ki gen rapò
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 254 | pH 1; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 2050 | pH 2; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 15400 | pH 3; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 46000 | pH 4; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 57500 | pH 5; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 58900 | pH 6; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 58900 | pH 7; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 56800 | pH 8; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 42300 | pH 9; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 12200 | pH 10; Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 389 | pH 1; Tanperati: 25 °C | (1) ACD |
| Koc | 3140 | pH 2; Tanperati: 25 °C | (1) ACD |
| Koc | 23600 | pH 3; Tanperati: 25 °C | (1) ACD |
| Koc | 70500 | pH 4; Tanperati: 25 °C | (1) ACD |
| Koc | 88100 | pH 5; Tanperati: 25 °C | (1) ACD |
| Koc | 90300 | pH 6; Tanperati: 25 °C | (1) ACD |
| Koc | 90200 | pH 7; Tanperati: 25 °C | (1) ACD |
| Koc | 87100 | pH 8; Tanperati: 25 °C | (1) ACD |
| Koc | 64800 | pH 9; Tanperati: 25 °C | (1) ACD |
| Koc | 18700 | pH 10; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| logD | 4.21 | pH 1; Tanperati: 25 °C | (1) ACD |
| logD | 5.12 | pH 2; Tanperati: 25 °C | (1) ACD |
| logD | 6.00 | pH 3; Tanperati: 25 °C | (1) ACD |
| logD | 6.47 | pH 4; Tanperati: 25 °C | (1) ACD |
| logD | 6.57 | pH 5; Tanperati: 25 °C | (1) ACD |
| logD | 6.58 | pH 6; Tanperati: 25 °C | (1) ACD |
| logD | 6.58 | pH 7; Tanperati: 25 °C | (1) ACD |
| logD | 6.56 | pH 8; Tanperati: 25 °C | (1) ACD |
| logD | 6.44 | pH 9; Tanperati: 25 °C | (1) ACD |
| logD | 5.90 | pH 10; Tanperati: 25 °C | (1) ACD |
| logP | 6.581±0.646 | Tanperati: 25 °C | (1) ACD |
| Mass Intrinsèque Solibilite | 8.4 x 10-5 g/L | Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.019 g/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 2.4 x 10-3 g/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 3.1 x 10-4 g/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.1 x 10-4 g/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 8.4 x 10-5 g/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 8.4 x 10-5 g/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 8.4 x 10-5 g/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 8.4 x 10-5 g/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.1 x 10-4 g/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.0 x 10-4 g/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 8.4 x 10-5 g/L | Dlo san tampon pH 7.00; Tanperati: 25 °C | (1) ACD |
| Solibilite intrinsèque molè | 1.1 x 10-7 mol/L | Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.5 x 10-5 mol/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 3.1 x 10-6 mol/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 4.1 x 10-7 mol/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.4 x 10-7 mol/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.1 x 10-7 mol/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.1 x 10-7 mol/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.1 x 10-7 mol/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.1 x 10-7 mol/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Solibilite molè | 1.5 x 10-7 mol/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 5.2 x 10-7 mol/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.1 x 10-7 mol/L | Dlo san tampon pH 7.00; Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 760,81 | ||
| pKa | 9.39±0.10 | Tanperati ki pi asid: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | Tanperati ki pi fondamantal: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Kondisyon | Sous |
| Obligasyon ki ka vire lib | 18 | (1) ACD | |
| H Aseptè | 13 | (1) ACD | |
| H Donatè | 1 | (1) ACD | |
| H Sòm donatè/akseptè | 14 | (1) ACD | |
| logP | 6.581±0.646 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 760,81 |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Sous Kondisyon |
| Zòn Sifas Polè | 155 A2 | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectre ki disponib
1H RMN
13C RMN
| Kòd | Deklarasyon danje | Sous |
| H335 | Ka lakòz iritasyon respiratwa | Ekspè Komisyonè |
| H331 | Toksik si yo respire | Ekspè Komisyonè |
| H319 | Kòz iritasyon je grav | Ekspè Komisyonè |
| H315 | Kòz iritasyon po | Ekspè Komisyonè |
| Kòd | Deklarasyon danje | Sous |
| H311 | Toksik an kontak ak po | Ekspè Komisyonè |
| H301+H311+H331 | Toksik si vale, an kontak ak po oswa lè w respire | Ekspè Komisyonè |
| H301 | Toksik si vale | Ekspè Komisyonè |
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