15-Deoxy-15,15-ethylenedioxy-17-phenyl-18,19,20-trinor-pgf2-alpha methyl ester
Basic information
- CAS
66176-09-8- Standard SMILES
COC(=O)CCC/C=C\CC1C(O)CC(O)[C@@H]1/C=C/C1(CCc2ccccc2)OCCO1- InChIKey
MOXKRXTYMMXBFO-WEXGSPKCSA-N- Molecular formula
- C26H36O6
- Average molar mass
- 444.6 g/mol
- Monoisotopic mass
- 444.25118886
Names & identifiers
- Preferred name
- 15-Deoxy-15,15-ethylenedioxy-17-phenyl-18,19,20-trinor-pgf2-alpha methyl ester
- IUPAC
- methyl (Z)-7-[(2R)-3,5-dihydroxy-2-[(E)-2-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]hept-5-enoate
- English name
- (Z)-7-[(1R)-3α,5α-Dihydroxy-2β-[(E)-2-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentan-1α-yl]-5-heptenoic acid methyl ester
- Molecular formula
- C26H36O6
- Molecular weight
- 444.57
Names & synonyms
BRN 127463715-Deoxy-15,15-ethylenedioxy-17-phenyl-18,19,20-trinor-pgf2-alpha methyl ester66176-09-815-Deoxy-15,15-ethylenedioxy-17-phenyl-18,19,20-trinorprostaglandin F2-alpha methyl ester5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-(2-phenylethyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(Z),2-beta(E),3-alpha,5-alpha))-(Z)-7-[(1R)-3α,5α-Dihydroxy-2β-[(E)-2-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentan-1α-yl]-5-heptenoic acid methyl ester5-Heptenoic acid, 7-[3,5-dihydroxy-2-[2-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]-, methyl ester, [1R-[1α(Z),2β(E),3α,5α]]- (9CI)
Database identifiers
- CAS
66176-09-8- PubChem CID
- 6434898
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 618
Physicochemical properties
- Boiling point
- 555.6 · 555.6±50.0 °C(Predicted)
- Density
- 1.209 · 1.209±0.06 g/cm3(Predicted)
- pka
- 14.61 · 14.61±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…