CAS 97-30-3|(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol|Methyl-α-D-glucopyranoside|α-METHYL-D-GLUCOSIDE|methyl D-glucopyranoside|甲基α-D-葡萄糖苷|甲基α-D-吡喃葡萄糖苷...

基本信息

化学结构

分子式

C₇H₁₄O₆

分子量

194.18246

精确质量

194.07903817

电荷

InChI

InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1

InChIKey

HOVAGTYPODGVJG-ZFYZTMLRSA-N

Canonic Smiles

CO[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O

Isomeric Smiles

O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1OC)CO

计算属性

JChem

LogD (pH = 7.4)

-2.29

LogD (pH = 5.5)

-2.29

Log P

-2.29

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

12.21

极化表面积

99.38

极化性

18.12

摩尔折射率

40.67

LOG S

0.56

数据来源

名称和标识

IUPAC标准名

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol

别名

Methyl-α-D-glucopyranosideα-METHYL-D-GLUCOSIDE甲基α-D-葡萄糖苷甲基α-D-吡喃葡萄糖苷Methyl α-D-glucosideα-甲基-D-葡萄糖苷Methyl α-D-glucopyranosideα-Methyl-D-glucoside1-O-Methyl-α-D-glucopyranosideα-MethylglucosideNSC 102101Methyl α-D-GlucopyranosideMethyl α-D-(+)-GlucosideMethyl alpha-D-glucopyranosideNSC 214092Methyl-alpha-D-glucopyranosidealpha-Methyl-D-glucosidealpha-D-methyl glucosidemethyl alpha-D-glucopyranosideMethyl alpha-D-glucoside1-O-methyl-alpha-D-glucosidealpha-Methyl D-glucose etheralpha-MethylglucosideMethyl hexopyranosideMe alpha-Glc1-O-methyl-alpha-D-glucopyranose1-O-methyl-alpha-D-glucopyranoside

IUPAC传统名

methyl D-glucopyranoside methyl α-D-glucopyranoside methyl glucoside

名称和标识

数据登录号

EC号

202-571-3

CAS号

97-30-3

PubChem CID

64947

PubChem SID

1620902772488504487351050