(Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-7-phenylhept-1-enyl]cyclopentyl]hept-5-enoic acid

C25H36O5 — CID 71450954

IUPAC(Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-7-phenylhept-1-enyl]cyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@@H]1C(/C=C/[C@H](O)CCCCc2ccccc2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C25H36O5/c26-20(13-9-8-12-19-10-4-3-5-11-19)16-17-22-21(23(27)18-24(22)28)14-6-1-2-7-15-25(29)30/h1,3-6,10-11,16-17,20-24,26-28H,2,7-9,12-15,18H2,(H,29,30)/b6-1-,17-16+/t20-,21-,22?,23+,24-/m1/s1
InChIKeyFHWDBURJDRCBLO-JHBMHJAISA-N
MW416.56 g/mol
LogP3.88
Rot. Bonds13

About (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-7-phenylhept-1-enyl]cyclopentyl]hept-5-enoic acid

(Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-7-phenylhept-1-enyl]cyclopentyl]hept-5-enoic acid (PubChem CID 71450954) has the molecular formula C25H36O5 and a molecular weight of 416.56 g/mol. Its IUPAC name is (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-7-phenylhept-1-enyl]cyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-7-phenylhept-1-enyl]cyclopentyl]hept-5-enoic acid
PubChem CID71450954
Molecular FormulaC25H36O5
Molecular Weight416.56 g/mol
Exact Mass416.26
IUPAC Name(Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-7-phenylhept-1-enyl]cyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@@H]1C(/C=C/[C@H](O)CCCCc2ccccc2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C25H36O5/c26-20(13-9-8-12-19-10-4-3-5-11-19)16-17-22-21(23(27)18-24(22)28)14-6-1-2-7-15-25(29)30/h1,3-6,10-11,16-17,20-24,26-28H,2,7-9,12-15,18H2,(H,29,30)/b6-1-,17-16+/t20-,21-,22?,23+,24-/m1/s1
InChIKeyFHWDBURJDRCBLO-JHBMHJAISA-N
XLogP3.88
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-7-phenylhept-1-enyl]cyclopentyl]hept-5-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-7-phenylhept-1-enyl]cyclopentyl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-7-phenylhept-1-enyl]cyclopentyl]hept-5-enoic acid (CID 71450954) is (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-7-phenylhept-1-enyl]cyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-7-phenylhept-1-enyl]cyclopentyl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-7-phenylhept-1-enyl]cyclopentyl]hept-5-enoic acid is O=C(O)CCC/C=C\C[C@@H]1C(/C=C/[C@H](O)CCCCc2ccccc2)[C@H](O)C[C@@H]1O.
What is the InChIKey of (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-7-phenylhept-1-enyl]cyclopentyl]hept-5-enoic acid?
The InChIKey is FHWDBURJDRCBLO-JHBMHJAISA-N. The full InChI is InChI=1S/C25H36O5/c26-20(13-9-8-12-19-10-4-3-5-11-19)16-17-22-21(23(27)18-24(22)28)14-6-1-2-7-15-25(29)30/h1,3-6,10-11,16-17,20-24,26-28H,2,7-9,12-15,18H2,(H,29,30)/b6-1-,17-16+/t20-,21-,22?,23+,24-/m1/s1.
What are the key properties of (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-7-phenylhept-1-enyl]cyclopentyl]hept-5-enoic acid?
(Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-7-phenylhept-1-enyl]cyclopentyl]hept-5-enoic acid has a molecular weight of 416.56 g/mol, XLogP of 3.88, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-7-phenylhept-1-enyl]cyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 71450954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).