(19R,20R)-19,20-dihydroxydocosanoic acid

C22H44O4 — CID 131704445

IUPAC(19R,20R)-19,20-dihydroxydocosanoic acid
SMILESCC[C@@H](O)[C@H](O)CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C22H44O4/c1-2-20(23)21(24)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-22(25)26/h20-21,23-24H,2-19H2,1H3,(H,25,26)/t20-,21-/m1/s1
InChIKeyZFGSPQYSCYDDEH-NHCUHLMSSA-N
MW372.59 g/mol
LogP5.83
Rot. Bonds20

About (19R,20R)-19,20-dihydroxydocosanoic acid

(19R,20R)-19,20-dihydroxydocosanoic acid (PubChem CID 131704445) has the molecular formula C22H44O4 and a molecular weight of 372.59 g/mol. Its IUPAC name is (19R,20R)-19,20-dihydroxydocosanoic acid.

Molecular Properties

Compound Name(19R,20R)-19,20-dihydroxydocosanoic acid
PubChem CID131704445
Molecular FormulaC22H44O4
Molecular Weight372.59 g/mol
Exact Mass372.32
IUPAC Name(19R,20R)-19,20-dihydroxydocosanoic acid
SMILESCC[C@@H](O)[C@H](O)CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C22H44O4/c1-2-20(23)21(24)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-22(25)26/h20-21,23-24H,2-19H2,1H3,(H,25,26)/t20-,21-/m1/s1
InChIKeyZFGSPQYSCYDDEH-NHCUHLMSSA-N
XLogP5.83
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.59
LogP ≤ 55.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 14556981
(7S,8S)-7,8-dihydroxytetradecanoic acid
CID 101332605
(Z,17R,18R)-17,18-dihydroxyicos-5-enoic acid
CID 131704448
5,6-dihydroxyoctadecanoic acid
CID 5282926
octanoic acid;tridecane-1,2,3-triol
CID 162007847
(9R,10R)-9,10,16-trihydroxyhexadecanoic acid
CID 7060884
15-hydroxyheptadecanoic acid
CID 14454507
27-hydroxynonacosanoic acid
CID 169277027
(10R,11R)-10,11-dihydroxydodecanoic acid
CID 91394357
(9S,10S)-9,10,16-trihydroxyhexadecanoic acid
CID 7269318
19,20,21-trihydroxyhenicosanoic acid
CID 54189389
17,18,19-trihydroxypentatriacontanedioic acid
CID 22665136

Frequently Asked Questions

What is the IUPAC name of (19R,20R)-19,20-dihydroxydocosanoic acid?
The IUPAC name of (19R,20R)-19,20-dihydroxydocosanoic acid (CID 131704445) is (19R,20R)-19,20-dihydroxydocosanoic acid.
What is the SMILES notation for (19R,20R)-19,20-dihydroxydocosanoic acid?
The canonical SMILES for (19R,20R)-19,20-dihydroxydocosanoic acid is CC[C@@H](O)[C@H](O)CCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of (19R,20R)-19,20-dihydroxydocosanoic acid?
The InChIKey is ZFGSPQYSCYDDEH-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H44O4/c1-2-20(23)21(24)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-22(25)26/h20-21,23-24H,2-19H2,1H3,(H,25,26)/t20-,21-/m1/s1.
What are the key properties of (19R,20R)-19,20-dihydroxydocosanoic acid?
(19R,20R)-19,20-dihydroxydocosanoic acid has a molecular weight of 372.59 g/mol, XLogP of 5.83, 20 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (19R,20R)-19,20-dihydroxydocosanoic acid is sourced from PubChem (CID 131704445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).