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(1S,4S,5R)-1-(β-D-Glucopyranosyloxy)-4,5-dihydroxy-2-cyclopentene-1-carbonitrile

(1S,4S,5R)-1-(β-D-Glucopyranosyloxy)-4,5-dihydroxy-2-cyclopentene-1-carbonitrile structure

CAS No:
14332-17-3
Formula:
C12H17NO8
Chemical Name:
(1S,4S,5R)-1-(β-D-Glucopyranosyloxy)-4,5-dihydroxy-2-cyclopentene-1-carbonitrile
Synonyms:
2-Cyclopentene-1-carbonitrile,1-(β-D-glucopyranosyloxy)-4,5-dihydroxy-,(1S,4S,5R)-;2-Cyclopentene-1-carbonitrile,1-(β-D-glucopyranosyloxy)-4,5-dihydroxy-;Glucopyranoside,1-cyano-4,5-dihydroxy-2-cyclopenten-1-yl,β-D-;(1S,4S,5R)-1-(β-D-Glucopyranosyloxy)-4,5-dihydroxy-2-cyclopentene-1-carbonitrile;Gynocardin;NSC 140698;1399-66-2

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Description

Solid

(1S,4S,5R)-1-(β-D-Glucopyranosyloxy)-4,5-dihydroxy-2-cyclopentene-1-carbonitrile Basic Attributes

Molecular Weight：

303.26 g/mol

Exact Mass：

303.27

NSC Number：

370274|140698

Characteristics

PSA：

164 Å²

Melting Point：

165-166 °C

Computed Properties

Molecular Weight:303.26
XLogP3:-2.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:303.09541650
Monoisotopic Mass:303.09541650
Topological Polar Surface Area:164
Heavy Atom Count:21
Complexity:461
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1S,4S,5R)-1-(β-D-Glucopyranosyloxy)-4,5-dihydroxy-2-cyclopentene-1-carbonitrile

Description
Basic Attributes
Characteristics
Computed Properties

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