7-(N-(2S-Hydroxyhexylcarbonyl)-2-amino-3-hydroxy-5-oxocyclopentyl)-5-heptenoic acid
Basic information
- CAS
64768-97-4- Standard SMILES
CCCCC[C@H](O)C(=O)N[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O- InChIKey
NSEGVNLFCXKYGL-CVRGMWONSA-N- Molecular formula
- C19H31NO6
- Average molar mass
- 369.5 g/mol
- Monoisotopic mass
- 369.21513771
Names & identifiers
- Preferred name
- 7-(N-(2S-Hydroxyhexylcarbonyl)-2-amino-3-hydroxy-5-oxocyclopentyl)-5-heptenoic acid
- IUPAC
- (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[[(2S)-2-hydroxyheptanoyl]amino]-5-oxocyclopentyl]hept-5-enoic acid
Names & synonyms
7-(N-(2S-Hydroxyhexylcarbonyl)-2-amino-3-hydroxy-5-oxocyclopentyl)-5-heptenoic acid64768-97-45-Heptenoic acid, 7-(3-hydroxy-2-((2-hydroxy-1-oxoheptyl)amino)-5-oxocyclopentyl)-, (1R-(1alpha(Z),2beta(S*),3alpha))-
Database identifiers
- CAS
64768-97-4- PubChem CID
- 6439743
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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