20,21-dihydroxy-19-oxohenicosanoic acid

C21H40O5 — CID 140974702

IUPAC20,21-dihydroxy-19-oxohenicosanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCC(=O)C(O)CO
InChIInChI=1S/C21H40O5/c22-18-20(24)19(23)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-21(25)26/h20,22,24H,1-18H2,(H,25,26)
InChIKeyCHZPRPMTXOVKCW-UHFFFAOYSA-N
MW372.55 g/mol
LogP4.62
Rot. Bonds20

About 20,21-dihydroxy-19-oxohenicosanoic acid

20,21-dihydroxy-19-oxohenicosanoic acid (PubChem CID 140974702) has the molecular formula C21H40O5 and a molecular weight of 372.55 g/mol. Its IUPAC name is 20,21-dihydroxy-19-oxohenicosanoic acid.

Molecular Properties

Compound Name20,21-dihydroxy-19-oxohenicosanoic acid
PubChem CID140974702
Molecular FormulaC21H40O5
Molecular Weight372.55 g/mol
Exact Mass372.29
IUPAC Name20,21-dihydroxy-19-oxohenicosanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCC(=O)C(O)CO
InChIInChI=1S/C21H40O5/c22-18-20(24)19(23)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-21(25)26/h20,22,24H,1-18H2,(H,25,26)
InChIKeyCHZPRPMTXOVKCW-UHFFFAOYSA-N
XLogP4.62
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

decanedioic acid;hexakis(propane-1,2,3-triol)
CID 157296752
heptadecanedioic acid
CID 3083765
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
18,19-dihydroxynonadecanoic acid
CID 87167042
ethane-1,2-diol;heptanedioic acid
CID 130422873

Frequently Asked Questions

What is the IUPAC name of 20,21-dihydroxy-19-oxohenicosanoic acid?
The IUPAC name of 20,21-dihydroxy-19-oxohenicosanoic acid (CID 140974702) is 20,21-dihydroxy-19-oxohenicosanoic acid.
What is the SMILES notation for 20,21-dihydroxy-19-oxohenicosanoic acid?
The canonical SMILES for 20,21-dihydroxy-19-oxohenicosanoic acid is O=C(O)CCCCCCCCCCCCCCCCCC(=O)C(O)CO.
What is the InChIKey of 20,21-dihydroxy-19-oxohenicosanoic acid?
The InChIKey is CHZPRPMTXOVKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O5/c22-18-20(24)19(23)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-21(25)26/h20,22,24H,1-18H2,(H,25,26).
What are the key properties of 20,21-dihydroxy-19-oxohenicosanoic acid?
20,21-dihydroxy-19-oxohenicosanoic acid has a molecular weight of 372.55 g/mol, XLogP of 4.62, 20 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 20,21-dihydroxy-19-oxohenicosanoic acid is sourced from PubChem (CID 140974702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).