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Dhurrin

Dhurrin structure

CAS No:
499-20-7
Formula:
C14H17NO7
Chemical Name:
Dhurrin
Synonyms:
Benzeneacetonitrile,α-(β-D-glucopyranosyloxy)-4-hydroxy-,(αS)-;Dhurrin;Benzeneacetonitrile,α-(β-D-glucopyranosyloxy)-4-hydroxy-,(S)-;Glucoside,α-cyano-p-hydroxybenzyl;(αS)-α-(β-D-Glucopyranosyloxy)-4-hydroxybenzeneacetonitrile;(S)-α-Cyano-p-hydroxybenzyl glucoside;96788-82-8;802274-24-4
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

(S)-4-hydroxymandelonitrile beta-D-glucoside is a beta-D-glucoside consisting of (S)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring. It is a beta-D-glucoside, a nitrile, a cyanogenic glycoside and a monosaccharide derivative. It derives from a (S)-prunasin.

Dhurrin Basic Attributes

Molecular Weight：

311.29

Exact Mass：

311.29

EC Number：

207-878-6

UNII：

P5999IY65C

DSSTox ID：

DTXSID90198142

Characteristics

PSA：

143

XLogP3：

-0.9

Density：

1.56g/cm3

Melting Point：

200 °C (decomp)

Boiling Point：

586.7ºC at 760 mmHg

Flash Point：

308.6ºC

Refractive Index：

1.65

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

22-45

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

Drug Information

MeSH Entry Terms：

dhurrin

Computed Properties

Molecular Weight:311.29
XLogP3:-0.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:311.10050188
Monoisotopic Mass:311.10050188
Topological Polar Surface Area:143
Heavy Atom Count:22
Complexity:403
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 499-20-7

Grade: Industrial Grade

Content: 99%

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