1-O-[2,2-Dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carbonyl]hexopyranuronic acid
Basic information
- CAS
93132-70-8- Standard SMILES
CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C1(C)C- InChIKey
JMJHTONFZKLVKI-KFMAZYBSSA-N- Molecular formula
- C16H24O8
- Average molar mass
- 344.36 g/mol
- Monoisotopic mass
- 344.14711772
Names & identifiers
- Preferred name
- 1-O-[2,2-Dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carbonyl]hexopyranuronic acid
- IUPAC
- (2S,3S,4S,5R,6R)-6-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Names & synonyms
93132-70-8DTXSID709186681-O-[2,2-Dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carbonyl]hexopyranuronic acid(2S,3S,4S,5R,6R)-6-((1R,3R)-2,2-dimethyl-3-(2-(methylprop-1-enyl)cyclopropanecarbonyl)oxy-(3,4,5-trihydroxyoxane-2-carboxylic acid1-O-[(1R,3R)-2,2-Dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carbonyl]-alpha-D-glucopyranuronic acidbeta-D-Glucopyranuronic acid, 1-(2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate), (1R-trans)-
Database identifiers
- CAS
93132-70-8- PubChem CID
- 190168
- DTXSID
DTXSID70918668
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 550
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…