Basic information
- CAS
131349-68-3- Standard SMILES
O=C(O)CCC/C=C\C[C@H]1[C@H](/C=C/C2(COc3cccc(Cl)c3)OCCO2)[C@@H](O)C[C@H]1O- InChIKey
RWTBSBMVEFAIJX-YKUPADDRSA-N- Molecular formula
- C24H31ClO7
- Average molar mass
- 466.9 g/mol
- Monoisotopic mass
- 466.175831
Overview
structure given in first source
Names & identifiers
- Preferred name
- Glystrophan
- IUPAC
- (Z)-7-[(1S,2S,3S,5R)-2-[(E)-2-[2-[(3-chlorophenoxy)methyl]-1,3-dioxolan-2-yl]ethenyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
- English name
- glystrophan
- Molecular formula
- C24H31ClO7
- Molecular weight
- 466.95
Names & synonyms
GlystrophanCloprostenol-15-glycal131349-68-37-(4-(3-Chlorophenoxy)-3,3-ethylenedioxy-1-butenyl)-3,5-dihydroxycyclopentyl-5-heptenoic acidRefChem:1440515-Heptenoic acid, 7-(2-(2-(2-((3-chlorophenoxy)methyl)-1,3-dioxolan-2-yl)ethenyl)-3,5-dihydroxycyclopentyl)-, (1alpha(Z),2beta(E),3alpha,5alpha)-(+-)-5-Heptenoic acid, 7-[(1R,2R,3R,5S)-2-[(1E)-2-[2-[(3-chlorophenoxy)methyl]-1,3-dioxolan-2-yl]ethenyl]-3,5-dihydroxycyclopentyl]-, (5Z)-rel-
Database identifiers
- CAS
131349-68-3- PubChem CID
- 6436152
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 646
Physicochemical properties
- Boiling point
- 620.6 · 620.6±55.0 °C(Predicted)
- Density
- 1.352 · 1.352±0.06 g/cm3(Predicted)
- pka
- 4.76 · 4.76±0.10(Predicted)
Chemistry & industry
Applications
DescriptionGlystrophan is a synthetic prostanoid with luteotropic action
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…