(17R)-17-hydroxydocosanoic acid

C22H44O3 — CID 163071515

IUPAC(17R)-17-hydroxydocosanoic acid
SMILESCCCCC[C@@H](O)CCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C22H44O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h21,23H,2-20H2,1H3,(H,24,25)/t21-/m1/s1
InChIKeyVJTDLVQCOOQUMQ-OAQYLSRUSA-N
MW356.59 g/mol
LogP6.86
Rot. Bonds20

About (17R)-17-hydroxydocosanoic acid

(17R)-17-hydroxydocosanoic acid (PubChem CID 163071515) has the molecular formula C22H44O3 and a molecular weight of 356.59 g/mol. Its IUPAC name is (17R)-17-hydroxydocosanoic acid.

Molecular Properties

Compound Name(17R)-17-hydroxydocosanoic acid
PubChem CID163071515
Molecular FormulaC22H44O3
Molecular Weight356.59 g/mol
Exact Mass356.33
IUPAC Name(17R)-17-hydroxydocosanoic acid
SMILESCCCCC[C@@H](O)CCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C22H44O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h21,23H,2-20H2,1H3,(H,24,25)/t21-/m1/s1
InChIKeyVJTDLVQCOOQUMQ-OAQYLSRUSA-N
XLogP6.86
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.59
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

21-hydroxyheptacosanoic acid
CID 169277079
(9R)-9-hydroxytetradecanoic acid
CID 22822871
14-hydroxypentacosanoic acid
CID 169276940
12-hydroxyheptadecanoic acid
CID 15110021
9-hydroxytriacontanoic acid
CID 169277258
hexadecan-7-ol;octadecanoic acid
CID 174589795
9-hydroxyheptadecanoic acid
CID 86012010
11-hydroxydocosanoic acid
CID 86066603
(8S)-8-hydroxytetradecanoic acid
CID 123133458
(7S)-7-hydroxyoctadecanoic acid
CID 162672751
12-hydroxyheptacosanoic acid
CID 169276954
20-hydroxyoctacosanoic acid
CID 169277392

Frequently Asked Questions

What is the IUPAC name of (17R)-17-hydroxydocosanoic acid?
The IUPAC name of (17R)-17-hydroxydocosanoic acid (CID 163071515) is (17R)-17-hydroxydocosanoic acid.
What is the SMILES notation for (17R)-17-hydroxydocosanoic acid?
The canonical SMILES for (17R)-17-hydroxydocosanoic acid is CCCCC[C@@H](O)CCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of (17R)-17-hydroxydocosanoic acid?
The InChIKey is VJTDLVQCOOQUMQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H44O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h21,23H,2-20H2,1H3,(H,24,25)/t21-/m1/s1.
What are the key properties of (17R)-17-hydroxydocosanoic acid?
(17R)-17-hydroxydocosanoic acid has a molecular weight of 356.59 g/mol, XLogP of 6.86, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (17R)-17-hydroxydocosanoic acid is sourced from PubChem (CID 163071515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).