(3R,14R)-3,14-dihydroxypentadecanoic acid

C15H30O4 — CID 86289835

IUPAC(3R,14R)-3,14-dihydroxypentadecanoic acid
SMILESC[C@@H](O)CCCCCCCCCC[C@@H](O)CC(=O)O
InChIInChI=1S/C15H30O4/c1-13(16)10-8-6-4-2-3-5-7-9-11-14(17)12-15(18)19/h13-14,16-17H,2-12H2,1H3,(H,18,19)/t13-,14-/m1/s1
InChIKeyUQBVZXWTTVTCGO-ZIAGYGMSSA-N
MW274.40 g/mol
LogP3.10
Rot. Bonds13

About (3R,14R)-3,14-dihydroxypentadecanoic acid

(3R,14R)-3,14-dihydroxypentadecanoic acid (PubChem CID 86289835) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is (3R,14R)-3,14-dihydroxypentadecanoic acid.

Molecular Properties

Compound Name(3R,14R)-3,14-dihydroxypentadecanoic acid
PubChem CID86289835
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name(3R,14R)-3,14-dihydroxypentadecanoic acid
SMILESC[C@@H](O)CCCCCCCCCC[C@@H](O)CC(=O)O
InChIInChI=1S/C15H30O4/c1-13(16)10-8-6-4-2-3-5-7-9-11-14(17)12-15(18)19/h13-14,16-17H,2-12H2,1H3,(H,18,19)/t13-,14-/m1/s1
InChIKeyUQBVZXWTTVTCGO-ZIAGYGMSSA-N
XLogP3.10
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,14R)-3,14-dihydroxypentadecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,13-dihydroxytetradecanoic acid
CID 146242796
(3R,15S)-3,15-dihydroxyhexadecanoic acid
CID 100641841
3-hydroxyoctadecanoic acid
CID 158545826
3-hydroxytetracosanoic acid
CID 5312781
3-hydroxyheptadecanedioic acid
CID 23052244
3-hydroxydodecanedioic acid
CID 16663321
3-hydroxyoctanoic acid
CID 159718411
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,14R)-3,14-dihydroxypentadecanoic acid?
The IUPAC name of (3R,14R)-3,14-dihydroxypentadecanoic acid (CID 86289835) is (3R,14R)-3,14-dihydroxypentadecanoic acid.
What is the SMILES notation for (3R,14R)-3,14-dihydroxypentadecanoic acid?
The canonical SMILES for (3R,14R)-3,14-dihydroxypentadecanoic acid is C[C@@H](O)CCCCCCCCCC[C@@H](O)CC(=O)O.
What is the InChIKey of (3R,14R)-3,14-dihydroxypentadecanoic acid?
The InChIKey is UQBVZXWTTVTCGO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H30O4/c1-13(16)10-8-6-4-2-3-5-7-9-11-14(17)12-15(18)19/h13-14,16-17H,2-12H2,1H3,(H,18,19)/t13-,14-/m1/s1.
What are the key properties of (3R,14R)-3,14-dihydroxypentadecanoic acid?
(3R,14R)-3,14-dihydroxypentadecanoic acid has a molecular weight of 274.40 g/mol, XLogP of 3.10, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,14R)-3,14-dihydroxypentadecanoic acid is sourced from PubChem (CID 86289835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).