 Home > Encyclopedia > 4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxabicyclo[3.1.0]hexane-2-carbonitrile

4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxabicyclo[3.1.0]hexane-2-carbonitrile

4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxabicyclo[3.1.0]hexane-2-carbonitrile structure

CAS No:
109852-93-9
Formula:
C12H17NO8
Chemical Name:
4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxabicyclo[3.1.0]hexane-2-carbonitrile
Synonyms:
109852-93-9;Passisuberosin;DTXSID90911378;2-(Hexopyranosyloxy)-4-hydroxy-6-oxabicyclo[3.1.0]hexane-2-carbonitrile;6-Oxabicyclo(3.1.0)hexane-2-carbonitrile, 2-(beta-D-glucopyranosyloxy)-4-hydroxy-

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4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxabicyclo[3.1.0]hexane-2-carbonitrile Basic Attributes

Molecular Weight：

303.26 g/mol

Exact Mass：

303.09541650 g/mol

Characteristics

PSA：

156 Å²

Computed Properties

Molecular Weight:303.26
XLogP3:-3.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:303.09541650
Monoisotopic Mass:303.09541650
Topological Polar Surface Area:156
Heavy Atom Count:21
Complexity:465
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxabicyclo[3.1.0]hexane-2-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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