(15S)-15-Methyl-pgf2-alpha 1,11-lactone
Basic information
- CAS
80029-28-3- Standard SMILES
CCC/C=C\[C@](C)(O)/C=C/[C@@H]1[C@@H](C/C=C\C=C\CCO)[C@@H](O)C[C@H]1O- InChIKey
QVNXPVRCJMCIQT-IIELGFQLSA-N- Molecular formula
- C21H34O4
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.24570956
Names & identifiers
- Preferred name
- (15S)-15-Methyl-pgf2-alpha 1,11-lactone
- IUPAC
- (1R,3S,4R,5R)-4-[(2Z,4E)-7-hydroxyhepta-2,4-dienyl]-5-[(1E,3S,4Z)-3-hydroxy-3-methylocta-1,4-dienyl]cyclopentane-1,3-diol
- English name
- (15S)-15-Methyl-prostaglandin F2-alpha 1,11-lactone
- Molecular formula
- C21H34O4
- Molecular weight
- 350.49
Names & synonyms
BRN 5761587(15S)-15-Methyl-pgf2-alpha 1,11-lactone80029-28-3(15S)-15-Methyl-prostaglandin F2-alpha 1,11-lactoneProsta-5,13-dien-1-oic acid, 15-methyl-9,11-15-trihydroxy-, iota-lactone, (5Z,9-alpha,11-alpha,13E,15S)(5Z,13E,15S)-15-Methyl-9α,11α,15-trihydroxyprosta-5,13-dien-1-oic acid 1,11-lactone
Database identifiers
- CAS
80029-28-3- PubChem CID
- 6447673
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- Boiling point
- 521.626 · 521.626±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.089 · 1.089±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.328 · 14.328±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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