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...

General Information

Structure

Molecular Formula

C₇H₁₄O₆

Molecular Mass

194.18246

Exact Mass

194.07903817

Charge

0

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

Calculated Properties

JChem

LogD (pH = 7.4)

-2.29

LogD (pH = 5.5)

-2.29

Log P

-2.29

Rotatable Bonds

2

H Donor

4

H Acceptors

6

Lipinski's Rule of Five

true

Acid pKa

12.21

Polar Surface Area

99.38

Polarizability

18.12

Molar Refractivity

40.67

LOG S

0.56

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

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

Synonyms

α-METHYL-D-GLUCOSIDEMethyl-α-D-glucopyranoside甲基α-D-葡萄糖苷Methyl α-D-glucopyranosideα-Methyl-D-glucosideMethyl α-D-glucosideα-甲基-D-葡萄糖苷甲基α-D-吡喃葡萄糖苷1-O-Methyl-α-D-glucopyranosideα-MethylglucosideMethyl α-D-GlucopyranosideNSC 102101Methyl α-D-(+)-GlucosideMethyl alpha-D-glucopyranosideNSC 214092Methyl-alpha-D-glucopyranosideMethyl alpha-D-glucosidealpha-D-methyl glucosidealpha-Methyl-D-glucosidemethyl alpha-D-glucopyranoside1-O-methyl-alpha-D-glucosidealpha-Methylglucoside1-O-methyl-alpha-D-glucopyranosideMe alpha-Glc1-O-methyl-alpha-D-glucopyranoseMethyl hexopyranosidealpha-Methyl D-glucose ether

IUPAC Traditional name

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

Names and Identifiers

Registration numbers

EC Number

202-571-3

CAS Number

97-30-3

PubChem CID

64947

PubChem SID

1620902772488504487351050