C43H55N4O10P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1- methylethyl)fosfò amidit] (ACI)

pwodwi

C43H55N4O10P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1- methylethyl)fosfò amidit] (ACI)

Enfòmasyon de baz:


Pwodwi detay

Tags pwodwi

Detay Sibstans

Nimewo Rejis CAS

163878-63-5

H302

Pwopriyete fizik kle yo Valè Kondisyon
Pwa molekilè 818.89 -
pKa (Prevwa) 9.55±0.10 Tanperati ki pi asid: 25 °C

Lòt Non ak Idantifyan

SORI Kanonik

N#CCCOP(OC1C(OC(N2C=C(C(=O)NC2=O)C)C1OCCOC)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](OCCOC)[C@@ H](O1)N2C(=O)NC(=O)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC =C(OC)C=C4)C5= CC = CC = C5

InChI

InChI= 1S/C43H55N4O10P/c1-29(2)47(30(3)4)58(55-24-12-23-44)57-38-37(56-41(39(38)53-26- 25-50-6)46-27-31(5)40(48)45-42(46)49)2 8-54-43(32-13-10-9-11-14-32,33-15 -19-35(51-7)20-16-33)34-17-21-36(52-8)22-18-34/h9-11,13-22,27,29-30,37-39 ,41H,12,24-26,28H2, 1-8H3,(H,45,48,49)/t37-,38-,39-,41-,58?/m1/s1

InChI kle

YFRRKZDUDXHJNC-KZQAAKLLSA-N

17 Lòt Non pou sibstans sa a

Oridin, 5′ -O- [bis(4-metoksifenil)fenilmetil]-2′ -O-(2-methoxyethyl)-5-methyl-, 3′ - [2-cyanoethyl bis (1-methylethyl)fosfò

amidite] (9CI); 10: PN: US20030212017 PAJ: 18 reklame RNA; 11: PN: US20030211606 PAJ: 18 reklame RNA; 13: PN: US20040

005569 PAJ: 21 reklame RNA; 13: PN: US20040006030 PAJ: 22 reklame RNA; 13: PN: US20040014048 PAJ: 19 reklame RNA; 13: PN: US20040014049 PAJ: 19 reklame RNA; 14: PN: US20030198965 PAJ: 19 reklame RNA; 14: PN: US20040005565 PAJ: 17- 22 reklame RNA; 14: PN: US20040005570 PAJ: 19 reklame RNA; 14: PN: US20040014047 PAJ: 19 reklame RNA; 14: PN: US20040

014699 PAJ: 19 reklame RNA; 15: PN: US20040014050 PAJ: 19 reklame RNA; 15: PN: US20040014051 PAJ: 21 reklame RNA; 15:

PN: WO03106645 PAJ: 69 reklame RNA; 16: PN: US20040006029 PAJ: 22 reklame RNA; 87: PN: US20040005707 PAJ: 19 reklame RNA

Spectre eksperimantal

Spectre ki disponib
1H RMN
13C RMN
Etero RMN

Pwopriyete Prevwa

Pwopriyete ki disponib
Byolojik
Chimik
Lipinski
Estrikti ki gen rapò

Byolojik

Pwopriyete Valè Kondisyon Sous
Faktè byokonsantrasyon 348 pH 1; Tanperati: 25 °C (1) ACD
Faktè byokonsantrasyon 2810 pH 2; Tanperati: 25 °C (1) ACD
Faktè byokonsantrasyon 21100 pH 3; Tanperati: 25 °C (1) ACD
Faktè byokonsantrasyon 63100 pH 4; Tanperati: 25 °C (1) ACD
Faktè byokonsantrasyon 78800 pH 5; Tanperati: 25 °C (1) ACD
Faktè byokonsantrasyon 80800 pH 6; Tanperati: 25 °C (1) ACD
Faktè byokonsantrasyon 80800 pH 7; Tanperati: 25 °C (1) ACD
Faktè byokonsantrasyon 78800 pH 8; Tanperati: 25 °C (1) ACD
Faktè byokonsantrasyon 63400 pH 9; Tanperati: 25 °C (1) ACD
Faktè byokonsantrasyon 21800 pH 10; Tanperati: 25 °C (1) ACD

(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Chimik

Pwopriyete Valè Kondisyon Sous
Koc 487 pH 1; Tanperati: 25 °C (1) ACD
Koc 3940 pH 2; Tanperati: 25 °C (1) ACD
Koc 29600 pH 3; Tanperati: 25 °C (1) ACD
Koc 88400 pH 4; Tanperati: 25 °C (1) ACD

 

Pwopriyete Valè Kondisyon Sous
Koc 1.10 x 105 pH 5; Tanperati: 25 °C (1) ACD
Koc 1.13 x 105 pH 6; Tanperati: 25 °C (1) ACD
Koc 1.13 x 105 pH 7; Tanperati: 25 °C (1) ACD
Koc 1.10 x 105 pH 8; Tanperati: 25 °C (1) ACD
Koc 88800 pH 9; Tanperati: 25 °C (1) ACD
Koc 30600 pH 10; Tanperati: 25 °C (1) ACD
logD 4.39 pH 1; Tanperati: 25 °C (1) ACD
logD 5.30 pH 2; Tanperati: 25 °C (1) ACD
logD 6.18 pH 3; Tanperati: 25 °C (1) ACD
logD 6.65 pH 4; Tanperati: 25 °C (1) ACD
logD 6.75 pH 5; Tanperati: 25 °C (1) ACD
logD 6.76 pH 6; Tanperati: 25 °C (1) ACD
logD 6.76 pH 7; Tanperati: 25 °C (1) ACD
logD 6.75 pH 8; Tanperati: 25 °C (1) ACD
logD 6.65 pH 9; Tanperati: 25 °C (1) ACD
logD 6.19 pH 10; Tanperati: 25 °C (1) ACD
logP 6.761±0.669 Tanperati: 25 °C (1) ACD
Mass Intrinsèque Solibilite 2.0 x 10-4 g/L Tanperati: 25 °C (1) ACD
Solibilite mas 0.046 g/L pH 1; Tanperati: 25 °C (1) ACD
Solibilite mas 5.7 x 10-3 g/L pH 2; Tanperati: 25 °C (1) ACD
Solibilite mas 7.6 x 10-4 g/L pH 3; Tanperati: 25 °C (1) ACD
Solibilite mas 2.5 x 10-4 g/L pH 4; Tanperati: 25 °C (1) ACD
Solibilite mas 2.0 x 10-4 g/L pH 5; Tanperati: 25 °C (1) ACD
Solibilite mas 2.0 x 10-4 g/L pH 6; Tanperati: 25 °C (1) ACD
Solibilite mas 2.0 x 10-4 g/L pH 7; Tanperati: 25 °C (1) ACD
Solibilite mas 2.0 x 10-4 g/L pH 8; Tanperati: 25 °C (1) ACD
Solibilite mas 2.5 x 10-4 g/L pH 9; Tanperati: 25 °C (1) ACD
Solibilite mas 7.4 x 10-4 g/L pH 10; Tanperati: 25 °C (1) ACD
Solibilite mas 2.0 x 10-4 g/L Dlo san tampon pH 7.00; Tanperati: 25 °C (1) ACD
Solibilite intrinsèque molè 2.4 x 10-7 mol/L Tanperati: 25 °C (1) ACD
Solibilite molè 5.6 x 10-5 mol/L pH 1; Tanperati: 25 °C (1) ACD
Solibilite molè 7.0 x 10-6 mol/L pH 2; Tanperati: 25 °C (1) ACD

 

Pwopriyete Valè Kondisyon Sous
Solibilite molè 9.3 x 10-7 mol/L pH 3; Tanperati: 25 °C (1) ACD
Solibilite molè 3.1 x 10-7 mol/L pH 4; Tanperati: 25 °C (1) ACD
Solibilite molè 2.5 x 10-7 mol/L pH 5; Tanperati: 25 °C (1) ACD
Solibilite molè 2.4 x 10-7 mol/L pH 6; Tanperati: 25 °C (1) ACD
Solibilite molè 2.4 x 10-7 mol/L pH 7; Tanperati: 25 °C (1) ACD
Solibilite molè 2.5 x 10-7 mol/L pH 8; Tanperati: 25 °C (1) ACD
Solibilite molè 3.1 x 10-7 mol/L pH 9; Tanperati: 25 °C (1) ACD
Solibilite molè 9.0 x 10-7 mol/L pH 10; Tanperati: 25 °C (1) ACD
Solibilite molè 2.4 x 10-7 mol/L Dlo san tampon pH 7.00; Tanperati: 25 °C (1) ACD
Pwa molekilè 818.89    
pKa 9.55±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)

Lipinski

Pwopriyete Valè Kondisyon Sous
Obligasyon ki ka vire lib 21   (1) ACD
H Aseptè 14   (1) ACD
H Donatè 1   (1) ACD
H Sòm donatè/akseptè 15   (1) ACD
logP 6.761±0.669 Tanperati: 25 °C (1) ACD
Pwa molekilè 818.89    

(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Estrikti ki gen rapò

Pwopriyete Valè Sous Kondisyon
Zòn Sifas Polè 164 A2 (1) ACD

(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Spectre prevwa

Spectre ki disponib
1H RMN
13C RMN

Deklarasyon danje GHS

Sous Deklarasyon Danje Kòd
H302 Danjre si vale Ajans chimik Ewopeyen an (ECHA) Klasifikasyon & Etikèt

Envantè - Klasifikasyon notifye ak etikèt - notifikasyon ki pi komen, Ajans chimik Ewopeyen an (ECHA)

Klasifikasyon & Envantè Etikèt - Klasifikasyon notifye ak etikèt - notifikasyon ki pi grav


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