3-Butenenitrile, 2-((6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranosyl)oxy)-3-methyl-, (2S)-
Basic information
- CAS
79197-21-0- Standard SMILES
C=C(C)[C@@H](C#N)O[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
BHUCUDQLYLLDIA-ZROVCDEISA-N- Molecular formula
- C16H25NO10
- Average molar mass
- 391.37 g/mol
- Monoisotopic mass
- 391.14784599
Overview
See also: Proacaciberin (annotation moved to).
Names & identifiers
- Preferred name
- 3-Butenenitrile, 2-((6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranosyl)oxy)-3-methyl-, (2S)-
- IUPAC
- (2S)-3-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybut-3-enenitrile
Names & synonyms
79197-21-03-Butenenitrile, 2-((6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranosyl)oxy)-3-methyl-, (2S)-
Database identifiers
- CAS
79197-21-0- PubChem CID
- 157485
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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