C30H30N2O8 Uridine, 5′-O- [bis (4-methoxyphenyl) fenilmetil]-(9CI, ACI)

produi

C30H30N2O8 Uridine, 5′-O- [bis (4-methoxyphenyl) fenilmetil]-(9CI, ACI)

Enfòmasyon debaz:


Detay Product

Tags pwodwi

Pwopriyete fizik

Kle pwopriyete fizik Valè Kondisyon
Pwa molekilè 546.57 -
Pwen k ap fonn (eksperimantal) 111-112 ° C Sòlvan: asetat etil
Dansite (prevwa) 1.343 ± 0.06 g/cm3 Tanperati: 20 ° C; Peze: 760 Torr
PKA (prevwa) 9.39 ± 0.10 Pifò asid tanperati: 25 ° C

Lòt non ak idantifyan

Souri kanonyal o = c1c = cn (c (= o) n1) C2OC (coc (c = 3c = cc = cc3) (c4 = cc = c (oc) c = c4) c5 = cc = c (oc) c = c5) c (o) c2OO
Isomeric Smiles C (OC [C@H] 1O [C@H] ([C@H] (O) [C @@ H] 1O) N2C (= O) NC (= O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = C = C = C = C = C = C = C (OC) C = C4) C5 = CC = C = C = C = C = C5
Inchi
Inchi = 1S/C30H30N2O8/C1-37-22-12-8-20 (9-13-22) 30 (19-6-4-3-5-7-19,21-10-14-23 (38-2) 15-11-21) 39-18-24-26 (34) 27 (35)
17-16-25 (33) 31-29 (32) 36/h3-17,24,26-28,34-35h, 18h2,1-2h3, (h, 31,33,36)/t24-, 26-, 27-, 28-/m1/s1
Inchi kle
Pcfsnqyxxacuhm-yuloidqlsa-n
4 Lòt non pou sibstans sa a
5′-O- [bis (4-methoxyphenyl) fenilmetil] uridine (ACI); Uridine, 5′-O- [α, α-bis (P-methoxyphenyl) benzil]-(7CI); 5′-dimethoxytrityl uridine; 5′-O- (4,4′-dimethoxytrityl) Uridine

Pwopriyete eksperimantal

Pwopriyete ki disponib
Tèmik

Tèmik

Posesyon Valè Kondisyon

Sous

Pwen k ap fonn 122-123 ° C    

(1) Cas

Pwen k ap fonn 111-112 ° C Sòlvan: Ethyl acetate

(2) Cas

Pwen k ap fonn Gade tèks konplè    

(3) Cas

(1) Zekri, Negar; Bilten nan Sosyete Chimik nan peyi Letiopi, (2010), 24 (2), 299-304, Caplus

(2) Patil, Premanand Ramrao; Journal of idrat kabòn Chimi, (2008), 27 (5), 279-293, Caplus

(3) Khalafi-nezhad, Ali; Lèt Tetraedron, (2004), 45 (36), 6737-6739, Caplus

Espèk eksperimantal

Spèktr ki disponib
1H NMR
13c NMR
Mas

Prevwa pwopriyete

Pwopriyete ki disponib
Biolojik
Chimik
Densite
Lipinski
Estrikti ki gen rapò

Biolojik

Posesyon Valè Kondisyon Sous
Faktè bioconcentration 904 Ph 1; Tan: 25 ° C (1) ACD
Faktè bioconcentration 904 pH 2; Tan: 25 ° C (1) ACD
Faktè bioconcentration 904 pH 3; Tan: 25 ° C (1) ACD
Faktè bioconcentration 904 pH 4; Tan: 25 ° C (1) ACD
Faktè bioconcentration 904 pH 5; Tan: 25 ° C (1) ACD
Faktè bioconcentration 904 pH 6; Tan: 25 ° C (1) ACD
Faktè bioconcentration 900 pH 7; Tan: 25 ° C (1) ACD
Faktè bioconcentration 861 pH 8; Tan: 25 ° C (1) ACD
Faktè bioconcentration 602 pH 9; Tan: 25 ° C (1) ACD

 

Posesyon Valè Kondisyon Sous
Faktè bioconcentration 156 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

Posesyon Valè Kondisyon Sous
Ka 4550 Ph 1; Tan: 25 ° C (1) ACD
Ka 4550 pH 2; Tan: 25 ° C (1) ACD
Ka 4550 pH 3; Tan: 25 ° C (1) ACD
Ka 4550 pH 4; Tan: 25 ° C (1) ACD
Ka 4550 pH 5; Tan: 25 ° C (1) ACD
Ka 4540 pH 6; Tan: 25 ° C (1) ACD
Ka 4520 pH 7; Tan: 25 ° C (1) ACD
Ka 4330 pH 8; Tan: 25 ° C (1) ACD
Ka 3030 pH 9; Tan: 25 ° C (1) ACD
Ka 785 pH 10; Tan: 25 ° C (1) ACD
Logd 4.19 Ph 1; Tan: 25 ° C (1) ACD
Logd 4.19 pH 2; Tan: 25 ° C (1) ACD
Logd 4.19 pH 3; Tan: 25 ° C (1) ACD
Logd 4.19 pH 4; Tan: 25 ° C (1) ACD
Logd 4.19 pH 5; Tan: 25 ° C (1) ACD
Logd 4.19 pH 6; Tan: 25 ° C (1) ACD
Logd 4.19 pH 7; Tan: 25 ° C (1) ACD
Logd 4.17 pH 8; Tan: 25 ° C (1) ACD
Logd 4.02 pH 9; Tan: 25 ° C (1) ACD
Logd 3.43 pH 10; Tan: 25 ° C (1) ACD
logp 4.192 ± 0.628 Tan: 25 ° C (1) ACD
Mas solubilite intrinsèques 3.2 x 10-4 g/l Tan: 25 ° C (1) ACD
Mas solubility 3.2 x 10-4 g/l Ph 1; Tan: 25 ° C (1) ACD
Mas solubility 3.2 x 10-4 g/l pH 2; Tan: 25 ° C (1) ACD
Mas solubility 3.2 x 10-4 g/l pH 3; Tan: 25 ° C (1) ACD
Mas solubility 3.2 x 10-4 g/l pH 4; Tan: 25 ° C (1) ACD
Mas solubility 3.2 x 10-4 g/l pH 5; Tan: 25 ° C (1) ACD
Mas solubility 3.2 x 10-4 g/l pH 6; Tan: 25 ° C (1) ACD
Mas solubility 3.2 x 10-4 g/l pH 7; Tan: 25 ° C (1) ACD

 

Posesyon Valè Kondisyon Sous
Mas solubility 3.3 x 10-4 g/l pH 8; Tan: 25 ° C (1) ACD
Mas solubility 4.8 x 10-4 g/l pH 9; Tan: 25 ° C (1) ACD
Mas solubility 1.9 x 10-3 g/l pH 10; Tan: 25 ° C (1) ACD
Mas solubility 3.2 x 10-4 g/l PH dlo unbuffered 6.99; Tan: 25 ° C (1) ACD
Molar intrinsèques solubility 5.8 x 10-7 mol/l Tan: 25 ° C (1) ACD
Solubilite molè 5.8 x 10-7 mol/l Ph 1; Tan: 25 ° C (1) ACD
Solubilite molè 5.8 x 10-7 mol/l pH 2; Tan: 25 ° C (1) ACD
Solubilite molè 5.8 x 10-7 mol/l pH 3; Tan: 25 ° C (1) ACD
Solubilite molè 5.8 x 10-7 mol/l pH 4; Tan: 25 ° C (1) ACD
Solubilite molè 5.8 x 10-7 mol/l pH 5; Tan: 25 ° C (1) ACD
Solubilite molè 5.8 x 10-7 mol/l pH 6; Tan: 25 ° C (1) ACD
Solubilite molè 5.8 x 10-7 mol/l pH 7; Tan: 25 ° C (1) ACD
Solubilite molè 6.1 x 10-7 mol/l pH 8; Tan: 25 ° C (1) ACD
Solubilite molè 8.7 x 10-7 mol/l pH 9; Tan: 25 ° C (1) ACD
Solubilite molè 3.4 x 10-6 mol/l pH 10; Tan: 25 ° C (1) ACD
Solubilite molè 5.8 x 10-7 mol/l PH dlo unbuffered 6.99; Tan: 25 ° C (1) ACD
Pwa molekilè 546.57    
pka 9.39 ± 0.10 Pifò asid tanperati: 25 ° C (1) ACD

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

Densite

Posesyon Valè Kondisyon Sous
Densite 1.343 ± 0.06 g/cm3 Tanperati: 20 ° C; Peze: 760 Torr (1) ACD
Volim molè 406.9 ± 3.0 cm3/mol Tanperati: 20 ° C; Peze: 760 Torr (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 11   (1) ACD
H akseptab 10   (1) ACD
H donatè 3   (1) ACD
H donatè/aksepte sòm 13   (1) ACD
logp 4.192 ± 0.628 Tan: 25 ° C (1) ACD
 

 

Posesyon Valè

Kondisyon

Sous
Pwa molekilè 546.57

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

Estrikti ki gen rapò

Posesyon Valè

Kondisyon

Sous
Zòn sifas polè 127 A2 (1) ACD

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

Prevwa spèktr

Spèktr ki disponib
1H NMR
13c NMR


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