C39h46fn4o8p uridine, 5 ′ -o- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -deoxy-2 ′-fluoro-, 3 ′-[2-cyanoethyl N, N-bis (1-methylethyl) Phosphoramid] n, N-bis (1-methylethyl) fosphoramid], N-bis (1-methylethyl) fosphoramid], N-bis (1-methylethyl) fosphoramid.

produi

C39h46fn4o8p uridine, 5 ′ -o- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -deoxy-2 ′-fluoro-, 3 ′-[2-cyanoethyl N, N-bis (1-methylethyl) Phosphoramid] n, N-bis (1-methylethyl) fosphoramid], N-bis (1-methylethyl) fosphoramid], N-bis (1-methylethyl) fosphoramid.

Enfòmasyon debaz:


Detay Product

Tags pwodwi

Detay sibstans

Nimewo rejis CAS

146954-75-8

Kle pwopriyete fizik Valè Kondisyon
Pwa molekilè 748.78 -
PKA (prevwa) 9.39 ± 0.10 Pifò asid tanperati: 25 ° C

Lòt non ak idantifyan

Souri kanonyal

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 (

Souri izomèr

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)C= C4)C5=CC=CC=C5

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 -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 kle

Hqhqpayrjjmyqx-djtpzymwsa-n

1 lòt non pou sibstans sa a

Uridine, 5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′ -deoxy-2 ′ -fluoro-, 3 ′-[2-cyanoethyl bis (1-methylethyl) fosforamidit] (9CI)

Pwopriyete ki disponib
Biolojik
Chimik
Lipinski
Estrikti ki gen rapò

Biolojik

Posesyon Valè Kondisyon Sous
Faktè bioconcentration 457 Ph 1; Tan: 25 ° C (1) ACD
Faktè bioconcentration 3690 pH 2; Tan: 25 ° C (1) ACD
Faktè bioconcentration 27700 pH 3; Tan: 25 ° C (1) ACD
Faktè bioconcentration 82900 pH 4; Tan: 25 ° C (1) ACD
Faktè bioconcentration 1.04 x 105 pH 5; Tan: 25 ° C (1) ACD
Faktè bioconcentration 1.06 x 105 pH 6; Tan: 25 ° C (1) ACD
Faktè bioconcentration 1.06 x 105 pH 7; Tan: 25 ° C (1) ACD
Faktè bioconcentration 1.02 x 105 pH 8; Tan: 25 ° C (1) ACD
Faktè bioconcentration 76200 pH 9; Tan: 25 ° C (1) ACD
Faktè bioconcentration 22000 pH 10; Tan: 25 ° C (1) ACD

(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)

Chimik

Valè pwopriyete kondisyon sous
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

 

Posesyon Valè Kondisyon Sous
Logd 6.81 pH 4; Tan: 25 ° C (1) ACD
Logd 6.91 pH 5; Tan: 25 ° C (1) ACD
Logd 6.92 pH 6; Tan: 25 ° C (1) ACD
Logd 6.92 pH 7; Tan: 25 ° C (1) ACD
Logd 6.90 pH 8; Tan: 25 ° C (1) ACD
Logd 6.77 pH 9; Tan: 25 ° C (1) ACD
Logd 6.23 pH 10; Tan: 25 ° C (1) ACD
logp 6.918 ± 0.641 Tan: 25 ° C (1) ACD
Mas solubilite intrinsèques 2.2 x 10-5 g/l Tan: 25 ° C (1) ACD
Mas solubility 5.1 x 10-3 g/l Ph 1; Tan: 25 ° C (1) ACD
Mas solubility 6.3 x 10-4 g/l pH 2; Tan: 25 ° C (1) ACD
Mas solubility 8.2 x 10-5 g/l pH 3; Tan: 25 ° C (1) ACD
Mas solubility 2.8 x 10-5 g/l pH 4; Tan: 25 ° C (1) ACD
Mas solubility 2.2 x 10-5 g/l pH 5; Tan: 25 ° C (1) ACD
Mas solubility 2.2 x 10-5 g/l pH 6; Tan: 25 ° C (1) ACD
Mas solubility 2.2 x 10-5 g/l pH 7; Tan: 25 ° C (1) ACD
Mas solubility 2.2 x 10-5 g/l pH 8; Tan: 25 ° C (1) ACD
Mas solubility 3.0 x 10-5 g/l pH 9; Tan: 25 ° C (1) ACD
Mas solubility 1.0 x 10-4 g/l pH 10; Tan: 25 ° C (1) ACD
Mas solubility 2.2 x 10-5 g/l PH dlo unbuffered 7.00; Tan: 25 ° C (1) ACD
Molar intrinsèques solubility 2.9 x 10-8 mol/l Tan: 25 ° C (1) ACD
Solubilite molè 6.8 x 10-6 mol/l Ph 1; Tan: 25 ° C (1) ACD
Solubilite molè 8.4 x 10-7 mol/l pH 2; Tan: 25 ° C (1) ACD
Solubilite molè 1.1 x 10-7 mol/l pH 3; Tan: 25 ° C (1) ACD
Solubilite molè 3.7 x 10-8 mol/l pH 4; Tan: 25 ° C (1) ACD
Solubilite molè 3.0 x 10-8 mol/l pH 5; Tan: 25 ° C (1) ACD
Solubilite molè 2.9 x 10-8 mol/l pH 6; Tan: 25 ° C (1) ACD
Solubilite molè 2.9 x 10-8 mol/l pH 7; Tan: 25 ° C (1) ACD
Solubilite molè 3.0 x 10-8 mol/l pH 8; Tan: 25 ° C (1) ACD
Solubilite molè 4.0 x 10-8 mol/l pH 9; Tan: 25 ° C (1) ACD
Solubilite molè 1.4 x 10-7 mol/l pH 10; Tan: 25 ° C (1) ACD
Solubilite molè 2.9 x 10-8 mol/l PH dlo unbuffered 7.00; Tan: 25 ° C (1) ACD

 

Posesyon Valè Kondisyon Sous
Pwa molekilè 748.78    
pka 9.39 ± 0.10 Pifò asid tanperati: 25 ° C (1) ACD
pka 3.45 ± 0.70 Pifò debaz tanperati: 25 ° C (1) ACD

(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)

Lipinski

Posesyon Valè Kondisyon Sous
Lib lib wotasyon 17   (1) ACD
H akseptab 12   (1) ACD
H donatè 1   (1) ACD
H donatè/aksepte sòm 13   (1) ACD
logp 6.918 ± 0.641 Tan: 25 ° C (1) ACD
Pwa molekilè 748.78    

(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)

Estrikti ki gen rapò

Posesyon Valè Sous kondisyon
Zòn sifas polè 145 A2 (1) ACD

(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)


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