(18R)-12,18-dihydroxy-5-oxoicosa-2,6,8,10-tetraenoic acid

C20H30O5 — CID 91051958

IUPAC(18R)-12,18-dihydroxy-5-oxoicosa-2,6,8,10-tetraenoic acid
SMILESCC[C@@H](O)CCCCCC(O)C=CC=CC=CC(=O)CC=CC(=O)O
InChIInChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-4,6-7,10,12-13,16-18,21-22H,2,5,8-9,11,14-15H2,1H3,(H,24,25)/t17-,18?/m1/s1
InChIKeyRHBANAYTZCERON-QNSVNVJESA-N
MW350.46 g/mol
LogP3.34
Rot. Bonds14

About (18R)-12,18-dihydroxy-5-oxoicosa-2,6,8,10-tetraenoic acid

(18R)-12,18-dihydroxy-5-oxoicosa-2,6,8,10-tetraenoic acid (PubChem CID 91051958) has the molecular formula C20H30O5 and a molecular weight of 350.46 g/mol. Its IUPAC name is (18R)-12,18-dihydroxy-5-oxoicosa-2,6,8,10-tetraenoic acid.

Molecular Properties

Compound Name(18R)-12,18-dihydroxy-5-oxoicosa-2,6,8,10-tetraenoic acid
PubChem CID91051958
Molecular FormulaC20H30O5
Molecular Weight350.46 g/mol
Exact Mass350.21
IUPAC Name(18R)-12,18-dihydroxy-5-oxoicosa-2,6,8,10-tetraenoic acid
SMILESCC[C@@H](O)CCCCCC(O)C=CC=CC=CC(=O)CC=CC(=O)O
InChIInChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-4,6-7,10,12-13,16-18,21-22H,2,5,8-9,11,14-15H2,1H3,(H,24,25)/t17-,18?/m1/s1
InChIKeyRHBANAYTZCERON-QNSVNVJESA-N
XLogP3.34
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid
CID 70674061
15-hydroxy-5-oxoicosa-2,6,8,13-tetraenoic acid
CID 87596076
(2E,4E,6E,11R)-11,18-dihydroxyicosa-2,4,6-trienoic acid
CID 25016840
(6E,8E,10E,14E)-5-hydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
CID 6285743
6,35-dihydroxypentatriaconta-2,4-dienoic acid
CID 138677863
(2E,4E,6Z,8E,10E,12E)-7,14-dihydroxydocosa-2,4,6,8,10,12-hexaenoic acid
CID 87235348
(6E,8Z,10Z)-5-oxoicosa-2,6,8,10-tetraenoic acid
CID 175795839
4-hydroxyheptacos-2-enoic acid
CID 88698148
(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid
CID 14753472
7,13,20-trihydroxydocosa-8,10,14,16,18-pentaenoic acid
CID 162821627
(2E,4E,6E)-15-hydroxyicosa-2,4,6-trienoic acid
CID 6439617
5-hydroxyundec-2-enoic acid
CID 54094975

Frequently Asked Questions

What is the IUPAC name of (18R)-12,18-dihydroxy-5-oxoicosa-2,6,8,10-tetraenoic acid?
The IUPAC name of (18R)-12,18-dihydroxy-5-oxoicosa-2,6,8,10-tetraenoic acid (CID 91051958) is (18R)-12,18-dihydroxy-5-oxoicosa-2,6,8,10-tetraenoic acid.
What is the SMILES notation for (18R)-12,18-dihydroxy-5-oxoicosa-2,6,8,10-tetraenoic acid?
The canonical SMILES for (18R)-12,18-dihydroxy-5-oxoicosa-2,6,8,10-tetraenoic acid is CC[C@@H](O)CCCCCC(O)C=CC=CC=CC(=O)CC=CC(=O)O.
What is the InChIKey of (18R)-12,18-dihydroxy-5-oxoicosa-2,6,8,10-tetraenoic acid?
The InChIKey is RHBANAYTZCERON-QNSVNVJESA-N. The full InChI is InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-4,6-7,10,12-13,16-18,21-22H,2,5,8-9,11,14-15H2,1H3,(H,24,25)/t17-,18?/m1/s1.
What are the key properties of (18R)-12,18-dihydroxy-5-oxoicosa-2,6,8,10-tetraenoic acid?
(18R)-12,18-dihydroxy-5-oxoicosa-2,6,8,10-tetraenoic acid has a molecular weight of 350.46 g/mol, XLogP of 3.34, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (18R)-12,18-dihydroxy-5-oxoicosa-2,6,8,10-tetraenoic acid is sourced from PubChem (CID 91051958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).