(15S)-15-Methyl-pgf2-alpha 1,9-lactone
Basic information
- CAS
62411-08-9- Standard SMILES
CCCCC[C@](C)(O)/C=C/[C@H]1C(O)=C[C@H](O)[C@@H]1C/C=C\CCCC=O- InChIKey
ZTMJVNGXHMSKDT-YDBZZPILSA-N- Molecular formula
- C21H34O4
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.24570956
Names & identifiers
- Preferred name
- (15S)-15-Methyl-pgf2-alpha 1,9-lactone
- IUPAC
- (Z)-7-[(1R,2R,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopent-3-en-1-yl]hept-5-enal
- English name
- (5Z,13E,15S)-15-Methyl-9α,11α,15-trihydroxyprosta-5,13-dien-1-oic acid 1,9-lactone
- Molecular formula
- C21H34O4
- Molecular weight
- 350.49
Names & synonyms
BRN 5597537(15S)-15-Methyl-pgf2-alpha 1,9-lactoneBRN 5593339(15S)-15-Methyl-pgf2-alpha 1,15-lactone62411-08-9(15S)-15-Methyl-prostaglandin F2-alpha 1,9-lactone(15S)-15-Methyl-prostaglandin F2-alpha 1,15-lactoneProsta-5,13-dien-1-oic acid, 15-methyl-9,11,15-trihydroxy-, theta-lactone, (5Z,9-alpha,11-alpha,13E,15S)Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-15-methyl-, lambda-lactone, (5Z,9-alpha,11-alpha,13E,15S)62411-21-6(5Z,13E,15S)-15-Methyl-9α,11α,15-trihydroxyprosta-5,13-dien-1-oic acid 1,9-lactoneProsta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-15-methyl-, θ-lactone, (5Z,9α,11α,13E,15S)- (9CI)
Database identifiers
- CAS
62411-08-9、62411-21-6- PubChem CID
- 6446547
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- Boiling point
- 502.891 · 502.891±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
- 14.446 · 14.446±0.40(predicted)
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