(Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3,8-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid

C20H34O6 — CID 5283040

IUPAC(Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3,8-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCCO)[C@H](O)C[C@@H]1O
InChIInChI=1S/C20H34O6/c21-13-7-3-4-8-15(22)11-12-17-16(18(23)14-19(17)24)9-5-1-2-6-10-20(25)26/h1,5,11-12,15-19,21-24H,2-4,6-10,13-14H2,(H,25,26)/b5-1-,12-11+/t15-,16+,17+,18-,19+/m0/s1
InChIKeyXQXUYZDBZCLAQO-UNKHNRNISA-N
MW370.49 g/mol
LogP2.02
Rot. Bonds13

About (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3,8-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid

(Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3,8-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid (PubChem CID 5283040) has the molecular formula C20H34O6 and a molecular weight of 370.49 g/mol. Its IUPAC name is (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3,8-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3,8-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
PubChem CID5283040
Molecular FormulaC20H34O6
Molecular Weight370.49 g/mol
Exact Mass370.24
IUPAC Name(Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3,8-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCCO)[C@H](O)C[C@@H]1O
InChIInChI=1S/C20H34O6/c21-13-7-3-4-8-15(22)11-12-17-16(18(23)14-19(17)24)9-5-1-2-6-10-20(25)26/h1,5,11-12,15-19,21-24H,2-4,6-10,13-14H2,(H,25,26)/b5-1-,12-11+/t15-,16+,17+,18-,19+/m0/s1
InChIKeyXQXUYZDBZCLAQO-UNKHNRNISA-N
XLogP2.02
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Prostaglandin E2
CID 5280360
Dinoprost
CID 5280363
Alprostadil
CID 5280723
Prostacyclin
CID 5282411
Prostaglandin D2
CID 448457
Dinoprost Tromethamine
CID 5282415
6-Ketoprostaglandin F1 alpha
CID 5280888
Unoprostone
CID 5311236
13,14-dihydro-15-keto-PGF2alpha
CID 5283039
Carboprost
CID 5281075
11-Epiprostaglandin F2alpha
CID 5280886
PGF1alpha
CID 5280939

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3,8-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3,8-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid (CID 5283040) is (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3,8-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3,8-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3,8-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid is O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCCO)[C@H](O)C[C@@H]1O.
What is the InChIKey of (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3,8-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid?
The InChIKey is XQXUYZDBZCLAQO-UNKHNRNISA-N. The full InChI is InChI=1S/C20H34O6/c21-13-7-3-4-8-15(22)11-12-17-16(18(23)14-19(17)24)9-5-1-2-6-10-20(25)26/h1,5,11-12,15-19,21-24H,2-4,6-10,13-14H2,(H,25,26)/b5-1-,12-11+/t15-,16+,17+,18-,19+/m0/s1.
What are the key properties of (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3,8-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid?
(Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3,8-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid has a molecular weight of 370.49 g/mol, XLogP of 2.02, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3,8-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 5283040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).