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Sambunigrin

Sambunigrin structure

CAS No:
99-19-4
Formula:
C14H17NO6
Chemical Name:
Sambunigrin
Synonyms:
Benzeneacetonitrile,α-(β-D-glucopyranosyloxy)-,(αS)-;Sambunigrin;Benzeneacetonitrile,α-(β-D-glucopyranosyloxy)-,(S)-;(αS)-α-(β-D-Glucopyranosyloxy)benzeneacetonitrile;L-Prunasin;(2S)-Sambunigrin;(S)-Prunasin

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Description

Solid

(S)-prunasin is a prunasin.

Sambunigrin Basic Attributes

Molecular Weight：

295.29 g/mol

Exact Mass：

295.29

UNII：

9UZJ2ZO1HS

Characteristics

PSA：

123 Å²

Melting Point：

151-152°C

Water Solubility：

2.688e+005 mg/L @ 25 °C (est)

Drug Information

MeSH Entry Terms：

sambunigrin

Computed Properties

Molecular Weight:295.29
XLogP3:-0.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:295.10558726
Monoisotopic Mass:295.10558726
Topological Polar Surface Area:123
Heavy Atom Count:21
Complexity:377
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Sambunigrin

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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