 Home > Encyclopedia > 3-methyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybut-2-enenitrile

3-methyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybut-2-enenitrile

3-methyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybut-2-enenitrile structure

CAS No:
79204-42-5
Formula:
C16H25NO10
Chemical Name:
3-methyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybut-2-enenitrile
Synonyms:
79204-42-5;Acaciberin;DTXSID801000332;3-Methyl-2-[(6-O-pentopyranosylhexopyranosyl)oxy]but-2-enenitrile

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3-methyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybut-2-enenitrile Basic Attributes

Molecular Weight：

391.37 g/mol

Exact Mass：

391.14784599 g/mol

Characteristics

PSA：

182 Å²

Computed Properties

Molecular Weight:391.37
XLogP3:-2.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:391.14784599
Monoisotopic Mass:391.14784599
Topological Polar Surface Area:182
Heavy Atom Count:27
Complexity:585
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-methyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybut-2-enenitrile

Basic Attributes
Characteristics
Computed Properties

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