(5E,8E,10Z,12S,14E)-12,20-dihydroxyicosa-5,8,10,14-tetraenoic acid

C20H32O4 — CID 125183325

IUPAC(5E,8E,10Z,12S,14E)-12,20-dihydroxyicosa-5,8,10,14-tetraenoic acid
SMILESO=C(O)CCC/C=C/C/C=C/C=C\[C@@H](O)C/C=C/CCCCCO
InChIInChI=1S/C20H32O4/c21-18-14-10-6-5-8-12-16-19(22)15-11-7-3-1-2-4-9-13-17-20(23)24/h2-4,7-8,11-12,15,19,21-22H,1,5-6,9-10,13-14,16-18H2,(H,23,24)/b4-2+,7-3+,12-8+,15-11-/t19-/m1/s1
InChIKeyNUPDGIJXOAHJRW-OOBXRRHLSA-N
MW336.47 g/mol
LogP4.16
Rot. Bonds15

About (5E,8E,10Z,12S,14E)-12,20-dihydroxyicosa-5,8,10,14-tetraenoic acid

(5E,8E,10Z,12S,14E)-12,20-dihydroxyicosa-5,8,10,14-tetraenoic acid (PubChem CID 125183325) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is (5E,8E,10Z,12S,14E)-12,20-dihydroxyicosa-5,8,10,14-tetraenoic acid.

Molecular Properties

Compound Name(5E,8E,10Z,12S,14E)-12,20-dihydroxyicosa-5,8,10,14-tetraenoic acid
PubChem CID125183325
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name(5E,8E,10Z,12S,14E)-12,20-dihydroxyicosa-5,8,10,14-tetraenoic acid
SMILESO=C(O)CCC/C=C/C/C=C/C=C\[C@@H](O)C/C=C/CCCCCO
InChIInChI=1S/C20H32O4/c21-18-14-10-6-5-8-12-16-19(22)15-11-7-3-1-2-4-9-13-17-20(23)24/h2-4,7-8,11-12,15,19,21-22H,1,5-6,9-10,13-14,16-18H2,(H,23,24)/b4-2+,7-3+,12-8+,15-11-/t19-/m1/s1
InChIKeyNUPDGIJXOAHJRW-OOBXRRHLSA-N
XLogP4.16
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5Z,8Z,10E,14Z)-12,20-dihydroxyicosa-5,8,10,14-tetraenoate
CID 102571789
(10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid
CID 71446611
(8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid
CID 118042403
(5E,8E,11E,13E,15S,17E)-15-hydroxyicosa-5,8,11,13,17-pentaenoic acid
CID 71771411
11-hydroxyicosa-5,8,12,14,17-pentaenoic acid
CID 53394253
(5S,6E,8E,10Z,12R,14E)-5,12,20-trihydroxyicosa-6,8,10,14-tetraenoic acid
CID 124671169
(5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid
CID 5353268
(6E,8Z)-20-hydroxyicosa-6,8,11,14-tetraenoic acid
CID 88618058
(6E,8E,11E,14E)-20-hydroxyicosa-6,8,11,14-tetraenoic acid
CID 19849796
(5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid
CID 134916945
(5E,8E,11Z,14E,17E)-24-hydroxytetracosa-5,8,11,14,17-pentaenoic acid
CID 134916944
(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid;(5Z,8Z,11Z,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoic acid;(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
CID 160932335

Frequently Asked Questions

What is the IUPAC name of (5E,8E,10Z,12S,14E)-12,20-dihydroxyicosa-5,8,10,14-tetraenoic acid?
The IUPAC name of (5E,8E,10Z,12S,14E)-12,20-dihydroxyicosa-5,8,10,14-tetraenoic acid (CID 125183325) is (5E,8E,10Z,12S,14E)-12,20-dihydroxyicosa-5,8,10,14-tetraenoic acid.
What is the SMILES notation for (5E,8E,10Z,12S,14E)-12,20-dihydroxyicosa-5,8,10,14-tetraenoic acid?
The canonical SMILES for (5E,8E,10Z,12S,14E)-12,20-dihydroxyicosa-5,8,10,14-tetraenoic acid is O=C(O)CCC/C=C/C/C=C/C=C\[C@@H](O)C/C=C/CCCCCO.
What is the InChIKey of (5E,8E,10Z,12S,14E)-12,20-dihydroxyicosa-5,8,10,14-tetraenoic acid?
The InChIKey is NUPDGIJXOAHJRW-OOBXRRHLSA-N. The full InChI is InChI=1S/C20H32O4/c21-18-14-10-6-5-8-12-16-19(22)15-11-7-3-1-2-4-9-13-17-20(23)24/h2-4,7-8,11-12,15,19,21-22H,1,5-6,9-10,13-14,16-18H2,(H,23,24)/b4-2+,7-3+,12-8+,15-11-/t19-/m1/s1.
What are the key properties of (5E,8E,10Z,12S,14E)-12,20-dihydroxyicosa-5,8,10,14-tetraenoic acid?
(5E,8E,10Z,12S,14E)-12,20-dihydroxyicosa-5,8,10,14-tetraenoic acid has a molecular weight of 336.47 g/mol, XLogP of 4.16, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,8E,10Z,12S,14E)-12,20-dihydroxyicosa-5,8,10,14-tetraenoic acid is sourced from PubChem (CID 125183325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).