5,6,15,20-tetrahydroxyicosa-7,9,11,13-tetraenoic acid

C20H32O6 — CID 162821776

IUPAC5,6,15,20-tetrahydroxyicosa-7,9,11,13-tetraenoic acid
SMILESO=C(O)CCCC(O)C(O)C=CC=CC=CC=CC(O)CCCCCO
InChIInChI=1S/C20H32O6/c21-16-9-5-7-12-17(22)11-6-3-1-2-4-8-13-18(23)19(24)14-10-15-20(25)26/h1-4,6,8,11,13,17-19,21-24H,5,7,9-10,12,14-16H2,(H,25,26)
InChIKeyJGHYLPPTOXKEKH-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.10
Rot. Bonds15

About 5,6,15,20-tetrahydroxyicosa-7,9,11,13-tetraenoic acid

5,6,15,20-tetrahydroxyicosa-7,9,11,13-tetraenoic acid (PubChem CID 162821776) has the molecular formula C20H32O6 and a molecular weight of 368.47 g/mol. Its IUPAC name is 5,6,15,20-tetrahydroxyicosa-7,9,11,13-tetraenoic acid.

Molecular Properties

Compound Name5,6,15,20-tetrahydroxyicosa-7,9,11,13-tetraenoic acid
PubChem CID162821776
Molecular FormulaC20H32O6
Molecular Weight368.47 g/mol
Exact Mass368.22
IUPAC Name5,6,15,20-tetrahydroxyicosa-7,9,11,13-tetraenoic acid
SMILESO=C(O)CCCC(O)C(O)C=CC=CC=CC=CC(O)CCCCCO
InChIInChI=1S/C20H32O6/c21-16-9-5-7-12-17(22)11-6-3-1-2-4-8-13-18(23)19(24)14-10-15-20(25)26/h1-4,6,8,11,13,17-19,21-24H,5,7,9-10,12,14-16H2,(H,25,26)
InChIKeyJGHYLPPTOXKEKH-UHFFFAOYSA-N
XLogP2.10
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R,6S,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid
CID 51668907
(6E,8E,10E,12E)-5,14,15-trihydroxyicosa-6,8,10,12-tetraenoic acid
CID 5353726
(11Z,13E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid
CID 87507613
(E)-7,10,18-trihydroxyoctadec-8-enoic acid
CID 146242215
(5S,6R,7E,9E,11Z,13E,15S)-5,6,15-trihydroxy-16-methylheptadeca-7,9,11,13-tetraenoic acid
CID 89190263
(5S,6E,8E,10Z,12R,14E)-5,12,20-trihydroxyicosa-6,8,10,14-tetraenoic acid
CID 124671169
(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid
CID 14753472
(6E,8E,10E,12E)-5,14,15-trihydroxy-17-phenylheptadeca-6,8,10,12-tetraenoic acid
CID 20588555
(9R,10R)-9,10,16-trihydroxyhexadecanoic acid
CID 7060884
(9S,10S)-9,10,16-trihydroxyhexadecanoic acid
CID 7269318
6,35-dihydroxypentatriaconta-2,4-dienoic acid
CID 138677863
(6R,7S,10R)-6,7,10-trihydroxyoctadec-8-enoic acid
CID 162875566

Frequently Asked Questions

What is the IUPAC name of 5,6,15,20-tetrahydroxyicosa-7,9,11,13-tetraenoic acid?
The IUPAC name of 5,6,15,20-tetrahydroxyicosa-7,9,11,13-tetraenoic acid (CID 162821776) is 5,6,15,20-tetrahydroxyicosa-7,9,11,13-tetraenoic acid.
What is the SMILES notation for 5,6,15,20-tetrahydroxyicosa-7,9,11,13-tetraenoic acid?
The canonical SMILES for 5,6,15,20-tetrahydroxyicosa-7,9,11,13-tetraenoic acid is O=C(O)CCCC(O)C(O)C=CC=CC=CC=CC(O)CCCCCO.
What is the InChIKey of 5,6,15,20-tetrahydroxyicosa-7,9,11,13-tetraenoic acid?
The InChIKey is JGHYLPPTOXKEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O6/c21-16-9-5-7-12-17(22)11-6-3-1-2-4-8-13-18(23)19(24)14-10-15-20(25)26/h1-4,6,8,11,13,17-19,21-24H,5,7,9-10,12,14-16H2,(H,25,26).
What are the key properties of 5,6,15,20-tetrahydroxyicosa-7,9,11,13-tetraenoic acid?
5,6,15,20-tetrahydroxyicosa-7,9,11,13-tetraenoic acid has a molecular weight of 368.47 g/mol, XLogP of 2.10, 15 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,15,20-tetrahydroxyicosa-7,9,11,13-tetraenoic acid is sourced from PubChem (CID 162821776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).