(3R,15S)-3,15-dihydroxyhexadecanoic acid

C16H32O4 — CID 100641841

IUPAC(3R,15S)-3,15-dihydroxyhexadecanoic acid
SMILESC[C@H](O)CCCCCCCCCCC[C@@H](O)CC(=O)O
InChIInChI=1S/C16H32O4/c1-14(17)11-9-7-5-3-2-4-6-8-10-12-15(18)13-16(19)20/h14-15,17-18H,2-13H2,1H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyIGEZKJDTCCZVOD-LSDHHAIUSA-N
MW288.43 g/mol
LogP3.49
Rot. Bonds14

About (3R,15S)-3,15-dihydroxyhexadecanoic acid

(3R,15S)-3,15-dihydroxyhexadecanoic acid (PubChem CID 100641841) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is (3R,15S)-3,15-dihydroxyhexadecanoic acid.

Molecular Properties

Compound Name(3R,15S)-3,15-dihydroxyhexadecanoic acid
PubChem CID100641841
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Name(3R,15S)-3,15-dihydroxyhexadecanoic acid
SMILESC[C@H](O)CCCCCCCCCCC[C@@H](O)CC(=O)O
InChIInChI=1S/C16H32O4/c1-14(17)11-9-7-5-3-2-4-6-8-10-12-15(18)13-16(19)20/h14-15,17-18H,2-13H2,1H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyIGEZKJDTCCZVOD-LSDHHAIUSA-N
XLogP3.49
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.49
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

3,13-dihydroxytetradecanoic acid
CID 146242796
(3R,14R)-3,14-dihydroxypentadecanoic acid
CID 86289835
3-hydroxyoctadecanoic acid
CID 158545826
3-hydroxytetracosanoic acid
CID 5312781
3-hydroxydodecanedioic acid
CID 16663321
3-hydroxyoctanoic acid
CID 159718411
3-hydroxyheptadecanedioic acid
CID 23052244
9-amino-3-hydroxyundecanoic acid
CID 175426923
20-hydroxyhenicosanoic acid
CID 19591814
3-hydroxyoctanedioic acid
CID 22328017
19-hydroxyicosanoic acid
CID 14535566
3-hydroxybutanoic acid;3-hydroxydecanoic acid;3-hydroxydodecanoic acid;3-hydroxyheptanoic acid;3-hydroxyhexanoic acid;3-hydroxynonanoic acid;3-hydroxyoctanoic acid;3-hydroxypentanoic acid;3-hydroxyundecanoic acid
CID 173057054

Frequently Asked Questions

What is the IUPAC name of (3R,15S)-3,15-dihydroxyhexadecanoic acid?
The IUPAC name of (3R,15S)-3,15-dihydroxyhexadecanoic acid (CID 100641841) is (3R,15S)-3,15-dihydroxyhexadecanoic acid.
What is the SMILES notation for (3R,15S)-3,15-dihydroxyhexadecanoic acid?
The canonical SMILES for (3R,15S)-3,15-dihydroxyhexadecanoic acid is C[C@H](O)CCCCCCCCCCC[C@@H](O)CC(=O)O.
What is the InChIKey of (3R,15S)-3,15-dihydroxyhexadecanoic acid?
The InChIKey is IGEZKJDTCCZVOD-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H32O4/c1-14(17)11-9-7-5-3-2-4-6-8-10-12-15(18)13-16(19)20/h14-15,17-18H,2-13H2,1H3,(H,19,20)/t14-,15+/m0/s1.
What are the key properties of (3R,15S)-3,15-dihydroxyhexadecanoic acid?
(3R,15S)-3,15-dihydroxyhexadecanoic acid has a molecular weight of 288.43 g/mol, XLogP of 3.49, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,15S)-3,15-dihydroxyhexadecanoic acid is sourced from PubChem (CID 100641841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).