7-(N-(2R-hydroxyhexylcarbonyl)-2-amino-3,5-dihydroxycyclopentyl)-5-heptenoic acid
Basic information
- CAS
64812-17-5- Standard SMILES
CCCCC[C@@H](O)C(=O)N[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O- InChIKey
FYQMRFUHUYHBND-RCENMIQPSA-N- Molecular formula
- C19H33NO6
- Average molar mass
- 371.5 g/mol
- Monoisotopic mass
- 371.23078777
Names & identifiers
- Preferred name
- 7-(N-(2R-hydroxyhexylcarbonyl)-2-amino-3,5-dihydroxycyclopentyl)-5-heptenoic acid
- IUPAC
- (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[[(2R)-2-hydroxyheptanoyl]amino]cyclopentyl]hept-5-enoic acid
Names & synonyms
7-(N-(2R-hydroxyhexylcarbonyl)-2-amino-3,5-dihydroxycyclopentyl)-5-heptenoic acid5-Heptenoic acid, 7-(3,5-dihydroxy-2-((2-hydroxy-1-oxoheptyl)amino)cyclopentyl)-, (1R-(1alpha(Z),2beta(R*),3alpha,5alpha))-64812-17-5
Database identifiers
- CAS
64812-17-5- PubChem CID
- 6439656
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 467
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Compound notes
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