11-Deoxy-pgf2alpha
Basic information
- CAS
36969-91-2- Standard SMILES
CCCCC[C@H](O)/C=C/[C@H]1CC[C@H](O)[C@@H]1C/C=C\CCCC(=O)O- InChIKey
YRFLKMLJQWGIIZ-APRRXLQMSA-N- Molecular formula
- C20H34O4
- Average molar mass
- 338.5 g/mol
- Monoisotopic mass
- 338.24570956
Overview
11-Deoxy-PGF2alpha is a prostanoid.
Names & identifiers
- Preferred name
- 11-Deoxy-pgf2alpha
- IUPAC
- (Z)-7-[(1R,2S,5R)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
Names & synonyms
11-Deoxy-pgf2alpha11-Deoxy-prostaglandin F2alphaRefChem:907979d,l-trans,cis-7-(2 alpha-hydroxy-5-(3-hydroxy-1-octenyl)cyclopentyl)-5-heptenoic acid11-Deoxy prostaglandin F2alpha11-deoxy-PGF2a36969-91-29S,15S-dihydroxy-5Z,13E-prostadienoic acid37786-06-4(Z)-7-[(1R,2S,5R)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid11-deoxy-Prostaglandin F2a11-Deoxyprostaglandin F2|A
Show more names
AY 24366AY-24366orb1701424SCHEMBL11661995CHEBI:165303YRFLKMLJQWGIIZ-APRRXLQMSA-NDTXSID101164745HMS3648D08
Database identifiers
- CAS
36969-91-2- PubChem CID
- 5283079
- DTXSID
DTXSID101164745- ChEBI
CHEBI:165303
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 402
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Prostaglandins [FA0301]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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