CAS 6974-32-9|2,3,5-TRI-O-BENZOYL-1-O-ACETYL-β-D-RIBOFURANOSE|(2R,3R,4R,5S)-5-(acetyloxy)-4-(benzoyloxy)-2-[(benzoyloxy)methyl]oxolan-3-yl benzoate|(2R,3R,4R,5S)-5-(acetyloxy)-4-(benzoyloxy)-2-...

基本信息

化学结构

分子式

C₂₈H₂₄O₉

分子量

504.48476

精确质量

504.14203235

电荷

InChI

InChI=1S/C28H24O9/c1-18(29)34-28-24(37-27(32)21-15-9-4-10-16-21)23(36-26(31)20-13-7-3-8-14-20)22(35-28)17-33-25(30)19-11-5-2-6-12-19/h2-16,22-24,28H,17H2,1H3/t22-,23-,24-,28-/m1/s1

InChIKey

GCZABPLTDYVJMP-CBUXHAPBSA-N

Canonic Smiles

CC(=O)O[C@@H]1O[C@@H]([C@H]([C@H]1OC(=O)c1ccccc1)OC(=O)c1ccccc1)COC(=O)c1ccccc1

Isomeric Smiles

O=C(O[C@@H]1O[C@@H]([C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)COC(=O)c1ccccc1)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

5.6248207

LogD (pH = 7.4)

5.6248207

Log P

5.6248207

摩尔折射率

128.5784

极化性

50.93317

极化表面积

114.43

可自由旋转的化学键

里宾斯基五规则

false

数据来源

名称和标识

别名

2,3,5-TRI-O-BENZOYL-1-O-ACETYL-β-D-RIBOFURANOSE1-O-Acetyl-2,3,5-tri-O-benzoyl-β-D-ribofuranoseβ-D-Ribofuranose 1-acetate 2,3,5-tribenzoate1-ACETYL-2,3,5-TRIBENZOYL-β-D-RIBOFURANOSE1-O-ACETYL-2,3,5-TRIBENZOYL-β-D-RIBOFURANOSIDE1-Acetyl-2,3,5-tribenzoyl-β-D-ribofuranoside1-O-乙酰基-2,3,5-O-三苯甲酰基-β-D-呋喃核糖1-O-Acetyl-2,3,5-tri-O-benzoyl-β-D-ribofuranose1-乙酰基-2,3,5-三苯甲酰基-β-D-呋喃核糖1-乙酰氧基-2,3,5-三苯甲酰氧基-1-β-D-呋喃核糖1-O-乙酰基-2,3,5-三-O-苯甲酰基-β-D-呋喃核糖β-D-Ribofuranose 1-acetate 2,3,5-tribenzoate1-O-Acetyl-2,3,5-tri-O-benzoyl-β-D-ribofuranoseβ-D-Ribofuranose 1-acetate 2,3,5-tribenzoateβ-D-Ribofuranose 1-Αcetate 2,3,5-Tribenzoate1-O-Acetyl-2,3,5-tri-O-benzoyl-β-D-riboseNSC 233492,3,5-Tri-O-benzoyl-β-D-ribofuranosyl Acetate1-O-Acetyl-2,3,5-tri-O-benzoyl-β-D-ribofuranoseABRbeta-D-Ribofuranose 1-Acetate 2,3,5-Tribenzoate

IUPAC标准名

(2R,3R,4R,5S)-5-(acetyloxy)-4-(benzoyloxy)-2-[(benzoyloxy)methyl]oxolan-3-yl benzoate [(2R,3R,4R,5S)-5-(acetyloxy)-3,4-bis(benzoyloxy)oxolan-2-yl]methyl benzoate (2S,3R,4R,5R)-2-(acetyloxy)-4-(benzoyloxy)-5-[(benzoyloxy)methyl]oxolan-3-yl benzoate

IUPAC传统名

名称和标识

数据登录号

EC号

CAS号

Beilstein号

MDL号

PubChem CID