Basic information
- CAS
93132-72-0- Standard SMILES
C/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)CO- InChIKey
GASZPYBMGXBBCV-HEABAQGESA-N- Molecular formula
- C16H24O9
- Average molar mass
- 360.36 g/mol
- Monoisotopic mass
- 360.14203234
Names & identifiers
- Preferred name
- (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-((1R,3R)-3-((E)-3-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropanecarbonyl)oxyoxane-2-carboxylic acid
- IUPAC
- (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,3R)-3-[(E)-3-hydroxy-2-methylprop-1-enyl]-2,2-dimethylcyclopropanecarbonyl]oxyoxane-2-carboxylic acid
Names & synonyms
(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-((1R,3R)-3-((E)-3-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropanecarbonyl)oxyoxane-2-carboxylic acid93132-72-0
Database identifiers
- CAS
93132-72-0- PubChem CID
- 6443085
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 570
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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