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Di-O-methylcrenatin

Di-O-methylcrenatin structure

CAS No:
64121-98-8
Formula:
C15H22O9
Chemical Name:
Di-O-methylcrenatin
Synonyms:
β-D-Glucopyranoside,4-(hydroxymethyl)-2,6-dimethoxyphenyl;4-(Hydroxymethyl)-2,6-dimethoxyphenyl β-D-glucopyranoside;Di-O-methylcrenatin
Categories:
Natural Products > Phenols

Description

ChEBI: A monosaccharide derivative that consists of 4-(hydroxymethyl)-2,6-dimethoxyphenol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. Isolated from Acacia mearnsii it exhibit cytotoxic activity.

3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside is a monosaccharide derivative that consists of 4-(hydroxymethyl)-2,6-dimethoxyphenol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. Isolated from Acacia mearnsii it exhibits cytotoxic activity. It has a role as a metabolite and an antineoplastic agent. It is a beta-D-glucoside, an aromatic ether, a member of benzyl alcohols, a primary alcohol and a monosaccharide derivative.

Di-O-methylcrenatin Basic Attributes

Molecular Weight：

346.32978

Exact Mass：

346.33

Characteristics

PSA：

138

XLogP3：

-2.72

Density：

1.5±0.1 g/cm3

Melting Point：

175-177 °C

Boiling Point：

591.2±50.0 °C at 760 mmHg

Flash Point：

311.3±30.1 °C

Refractive Index：

1.602

Computed Properties

Molecular Weight:346.33
XLogP3:-2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:346.12638228
Monoisotopic Mass:346.12638228
Topological Polar Surface Area:138
Heavy Atom Count:24
Complexity:368
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes