Basic information
- Standard SMILES
C/C=C\C#CC#C[C@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CCCO1- InChIKey
GKMJBKTWUROSQB-NJKOHHTHSA-N- Molecular formula
- C23H32O12
- Average molar mass
- 500.5 g/mol
- Monoisotopic mass
- 500.18937646
Names & identifiers
- Preferred name
- (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R)-2-[(Z)-hept-5-en-1,3-diynyl]oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- IUPAC
- (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R)-2-[(Z)-hept-5-en-1,3-diynyl]oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 867
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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