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

C21H30O6 — CID 70185797

IUPAC(Z)-7-[(3R,5S)-2-[(E)-5-(furan-3-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\CC1C(/C(O)=C\CCCc2ccoc2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C21H30O6/c22-17(9-6-5-7-15-11-12-27-14-15)21-16(18(23)13-19(21)24)8-3-1-2-4-10-20(25)26/h1,3,9,11-12,14,16,18-19,21-24H,2,4-8,10,13H2,(H,25,26)/b3-1-,17-9+/t16?,18-,19+,21?/m0/s1
InChIKeySEYYMBRUZOCSDI-FGPCSCBBSA-N
MW378.47 g/mol
LogP3.60
Rot. Bonds11

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

(Z)-7-[(3R,5S)-2-[(E)-5-(furan-3-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid (PubChem CID 70185797) has the molecular formula C21H30O6 and a molecular weight of 378.47 g/mol. Its IUPAC name is (Z)-7-[(3R,5S)-2-[(E)-5-(furan-3-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(3R,5S)-2-[(E)-5-(furan-3-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
PubChem CID70185797
Molecular FormulaC21H30O6
Molecular Weight378.47 g/mol
Exact Mass378.20
IUPAC Name(Z)-7-[(3R,5S)-2-[(E)-5-(furan-3-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\CC1C(/C(O)=C\CCCc2ccoc2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C21H30O6/c22-17(9-6-5-7-15-11-12-27-14-15)21-16(18(23)13-19(21)24)8-3-1-2-4-10-20(25)26/h1,3,9,11-12,14,16,18-19,21-24H,2,4-8,10,13H2,(H,25,26)/b3-1-,17-9+/t16?,18-,19+,21?/m0/s1
InChIKeySEYYMBRUZOCSDI-FGPCSCBBSA-N
XLogP3.60
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,2R,3R,5S)-2-[5-(furan-2-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]acetic acid
CID 70608011
(Z)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoic acid
CID 91885972
(E)-7-[3,5-dihydroxy-2-[(E)-4-hydroxynon-2-en-2-yl]cyclopentyl]hept-5-enoic acid
CID 20655967
(Z)-7-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-4-phenylbut-1-enyl]cyclopentyl]hept-5-enoic acid
CID 131880784
(Z)-7-[(1S,3R,4S,5S)-3-[(E)-5-phenylpent-1-enyl]-2,6-dioxabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
CID 142858559
7-[(1R,2S,5R)-5-chloro-2-(4-hexylphenyl)-3-hydroxycyclopentyl]hept-5-enoic acid
CID 91350749
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-5-phenyl-3-phosphanyloxypentyl]cyclopentyl]hept-5-enoic acid
CID 91159489
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoic acid;dihydrochloride
CID 138503362
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-(4-methylphenyl)pent-1-enyl]cyclopentyl]hept-5-enoic acid
CID 10046692
(E)-7-[3,5-dihydroxy-2-(phenylcarbamoyloxymethyl)cyclopentyl]hept-5-enoic acid
CID 22613240
7-[(2S,3R)-2-(4-hexylphenyl)-3-hydroxy-5-methylcyclopentyl]hept-5-enoic acid
CID 123494501
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-non-1-enylcyclopentyl]hept-5-enoic acid
CID 54269454

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(3R,5S)-2-[(E)-5-(furan-3-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(3R,5S)-2-[(E)-5-(furan-3-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid (CID 70185797) is (Z)-7-[(3R,5S)-2-[(E)-5-(furan-3-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(3R,5S)-2-[(E)-5-(furan-3-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(3R,5S)-2-[(E)-5-(furan-3-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid is O=C(O)CCC/C=C\CC1C(/C(O)=C\CCCc2ccoc2)[C@H](O)C[C@@H]1O.
What is the InChIKey of (Z)-7-[(3R,5S)-2-[(E)-5-(furan-3-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid?
The InChIKey is SEYYMBRUZOCSDI-FGPCSCBBSA-N. The full InChI is InChI=1S/C21H30O6/c22-17(9-6-5-7-15-11-12-27-14-15)21-16(18(23)13-19(21)24)8-3-1-2-4-10-20(25)26/h1,3,9,11-12,14,16,18-19,21-24H,2,4-8,10,13H2,(H,25,26)/b3-1-,17-9+/t16?,18-,19+,21?/m0/s1.
What are the key properties of (Z)-7-[(3R,5S)-2-[(E)-5-(furan-3-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid?
(Z)-7-[(3R,5S)-2-[(E)-5-(furan-3-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid has a molecular weight of 378.47 g/mol, XLogP of 3.60, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(3R,5S)-2-[(E)-5-(furan-3-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 70185797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).