Sutherlandin
Basic information
- CAS
110115-57-6- Standard SMILES
N#C/C=C(/CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
FOSRVZARVZHBSO-JVNCHOTKSA-N- Molecular formula
- C11H17NO7
- Average molar mass
- 275.25 g/mol
- Monoisotopic mass
- 275.10050188
Overview
Sutherlandin has been reported in Exochorda serratifolia, Hordeum vulgare, and other organisms with data available.
Names & identifiers
- Preferred name
- Sutherlandin
- IUPAC
- (Z)-3-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile
Names & synonyms
Sutherlandin110115-57-6(Z)-3-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile2-Butenenitrile, 4-(beta-D-glucopyranosyloxy)-3-(hydroxymethyl)-, (Z)-(Z)-3-(hydroxymethyl)-4-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxybut-2-enenitrileRefChem:186850SCHEMBL29537917DTXSID801384039
Database identifiers
- CAS
110115-57-6- PubChem CID
- 6442883
- DTXSID
DTXSID801384039- Nikkaji
- J621.427D
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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