(6R,7S,10R)-6,7,10-trihydroxyoctadec-8-enoic acid

C18H34O5 — CID 162875566

IUPAC(6R,7S,10R)-6,7,10-trihydroxyoctadec-8-enoic acid
SMILESCCCCCCCC[C@@H](O)C=C[C@H](O)[C@H](O)CCCCC(=O)O
InChIInChI=1S/C18H34O5/c1-2-3-4-5-6-7-10-15(19)13-14-17(21)16(20)11-8-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/t15-,16-,17+/m1/s1
InChIKeySDZXJCJBNSUABH-ZACQAIPSSA-N
MW330.47 g/mol
LogP3.02
Rot. Bonds15

About (6R,7S,10R)-6,7,10-trihydroxyoctadec-8-enoic acid

(6R,7S,10R)-6,7,10-trihydroxyoctadec-8-enoic acid (PubChem CID 162875566) has the molecular formula C18H34O5 and a molecular weight of 330.47 g/mol. Its IUPAC name is (6R,7S,10R)-6,7,10-trihydroxyoctadec-8-enoic acid.

Molecular Properties

Compound Name(6R,7S,10R)-6,7,10-trihydroxyoctadec-8-enoic acid
PubChem CID162875566
Molecular FormulaC18H34O5
Molecular Weight330.47 g/mol
Exact Mass330.24
IUPAC Name(6R,7S,10R)-6,7,10-trihydroxyoctadec-8-enoic acid
SMILESCCCCCCCC[C@@H](O)C=C[C@H](O)[C@H](O)CCCCC(=O)O
InChIInChI=1S/C18H34O5/c1-2-3-4-5-6-7-10-15(19)13-14-17(21)16(20)11-8-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/t15-,16-,17+/m1/s1
InChIKeySDZXJCJBNSUABH-ZACQAIPSSA-N
XLogP3.02
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.02
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 (6R,7S,10R)-6,7,10-trihydroxyoctadec-8-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

Related Compounds

(Z)-7,10-dihydroxyoctadec-8-enoic acid
CID 56776194
(E,10R,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10020286
(E,8R,11S)-8,11-dihydroxyoctadec-9-enoic acid
CID 10448375
(E,10S,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10315363
(6E,8E,10E,12E)-5,14,15-trihydroxyicosa-6,8,10,12-tetraenoic acid
CID 5353726
(5R,6S,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid
CID 51668907
(E)-10,11-dihydroxyoctadec-12-enoic acid
CID 44633868
(11Z,13E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid
CID 87507613
(7S,8S)-7,8-dihydroxytetradecanoic acid
CID 101332605
methyl (E,9R,12R,13R)-9,12,13-trihydroxyoctadec-10-enoate
CID 14191893
methyl (E)-9,10,13-trihydroxyoctadec-11-enoate
CID 10315496
(9R,10S,11E,13R,15Z)-9,10,13-trihydroxyoctadeca-11,15-dienoic acid
CID 93062009

Frequently Asked Questions

What is the IUPAC name of (6R,7S,10R)-6,7,10-trihydroxyoctadec-8-enoic acid?
The IUPAC name of (6R,7S,10R)-6,7,10-trihydroxyoctadec-8-enoic acid (CID 162875566) is (6R,7S,10R)-6,7,10-trihydroxyoctadec-8-enoic acid.
What is the SMILES notation for (6R,7S,10R)-6,7,10-trihydroxyoctadec-8-enoic acid?
The canonical SMILES for (6R,7S,10R)-6,7,10-trihydroxyoctadec-8-enoic acid is CCCCCCCC[C@@H](O)C=C[C@H](O)[C@H](O)CCCCC(=O)O.
What is the InChIKey of (6R,7S,10R)-6,7,10-trihydroxyoctadec-8-enoic acid?
The InChIKey is SDZXJCJBNSUABH-ZACQAIPSSA-N. The full InChI is InChI=1S/C18H34O5/c1-2-3-4-5-6-7-10-15(19)13-14-17(21)16(20)11-8-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/t15-,16-,17+/m1/s1.
What are the key properties of (6R,7S,10R)-6,7,10-trihydroxyoctadec-8-enoic acid?
(6R,7S,10R)-6,7,10-trihydroxyoctadec-8-enoic acid has a molecular weight of 330.47 g/mol, XLogP of 3.02, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S,10R)-6,7,10-trihydroxyoctadec-8-enoic acid is sourced from PubChem (CID 162875566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).