Prost-5,13-dien-20-oic acid, 9,11,15-trihydroxy-, (5Z,9-alpha,11-alpha,13E,15S)-
Basic information
- CAS
152561-64-3- Standard SMILES
CCCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC(=O)O)[C@H](O)C[C@@H]1O- InChIKey
QGRKYMSOAVMXSN-OPLCCCICSA-N- Molecular formula
- C20H34O5
- Average molar mass
- 354.5 g/mol
- Monoisotopic mass
- 354.24062418
Names & identifiers
- Preferred name
- Prost-5,13-dien-20-oic acid, 9,11,15-trihydroxy-, (5Z,9-alpha,11-alpha,13E,15S)-
- IUPAC
- (E,6S)-8-[(1R,2R,3S,5R)-2-[(Z)-hept-2-enyl]-3,5-dihydroxycyclopentyl]-6-hydroxyoct-7-enoic acid
- English name
- (+)-1-Decarboxy-1-methyl-20-nor-19-carboxyprostaglandin F(sub 2-alpha)
- Molecular formula
- C20H34O5
- Molecular weight
- 354.48
Names & synonyms
152561-64-3Prost-5,13-dien-20-oic acid, 9,11,15-trihydroxy-, (5Z,9-alpha,11-alpha,13E,15S)-RefChem:1097059(5Z,9-alpha,11-alpha,13E,15S)-9,11,15-Trihydroxyprost-5,13-dien-20-oic acid(+)-1-Decarboxy-1-methyl-20-nor-19-carboxyprostaglandin F(sub 2-alpha)(E,6S)-8-[(1R,2R,3S,5R)-2-[(Z)-hept-2-enyl]-3,5-dihydroxycyclopentyl]-6-hydroxyoct-7-enoic acidProsta-5,13-dien-20-oic acid, 9,11,15-trihydroxy-, (5Z,9α,11α,13E,15S)- (9CI)
Database identifiers
- CAS
152561-64-3- PubChem CID
- 6448834
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Boiling point
- 530.557 · 530.557±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.153 · 1.153±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.741 · 4.741±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…