(4S,12S)-4,12-dihydroxypentadecanoic acid

C15H30O4 — CID 163083389

IUPAC(4S,12S)-4,12-dihydroxypentadecanoic acid
SMILESCCC[C@H](O)CCCCCCC[C@H](O)CCC(=O)O
InChIInChI=1S/C15H30O4/c1-2-8-13(16)9-6-4-3-5-7-10-14(17)11-12-15(18)19/h13-14,16-17H,2-12H2,1H3,(H,18,19)/t13-,14-/m0/s1
InChIKeyQGZOSDDYSABQFX-KBPBESRZSA-N
MW274.40 g/mol
LogP3.10
Rot. Bonds13

About (4S,12S)-4,12-dihydroxypentadecanoic acid

(4S,12S)-4,12-dihydroxypentadecanoic acid (PubChem CID 163083389) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is (4S,12S)-4,12-dihydroxypentadecanoic acid.

Molecular Properties

Compound Name(4S,12S)-4,12-dihydroxypentadecanoic acid
PubChem CID163083389
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name(4S,12S)-4,12-dihydroxypentadecanoic acid
SMILESCCC[C@H](O)CCCCCCC[C@H](O)CCC(=O)O
InChIInChI=1S/C15H30O4/c1-2-8-13(16)9-6-4-3-5-7-10-14(17)11-12-15(18)19/h13-14,16-17H,2-12H2,1H3,(H,18,19)/t13-,14-/m0/s1
InChIKeyQGZOSDDYSABQFX-KBPBESRZSA-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'}

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Related Compounds

4-hydroxyhexadecanoic acid
CID 5282904
24-hydroxyheptacosanoic acid
CID 169277120
16,19-dihydroxydocosanoic acid
CID 169277473
4-hydroxyoctanoic acid
CID 159216758
14-hydroxypentacosanoic acid
CID 169276940
5-hydroxyhexadecanoic acid
CID 5312761
21-hydroxyheptacosanoic acid
CID 169277079
(9R)-9-hydroxytetradecanoic acid
CID 22822871
12-hydroxyheptadecanoic acid
CID 15110021
9-hydroxytriacontanoic acid
CID 169277258
21-hydroxypentacosanoic acid
CID 169277058
(8S)-8-hydroxytetradecanoic acid
CID 123133458

Frequently Asked Questions

What is the IUPAC name of (4S,12S)-4,12-dihydroxypentadecanoic acid?
The IUPAC name of (4S,12S)-4,12-dihydroxypentadecanoic acid (CID 163083389) is (4S,12S)-4,12-dihydroxypentadecanoic acid.
What is the SMILES notation for (4S,12S)-4,12-dihydroxypentadecanoic acid?
The canonical SMILES for (4S,12S)-4,12-dihydroxypentadecanoic acid is CCC[C@H](O)CCCCCCC[C@H](O)CCC(=O)O.
What is the InChIKey of (4S,12S)-4,12-dihydroxypentadecanoic acid?
The InChIKey is QGZOSDDYSABQFX-KBPBESRZSA-N. The full InChI is InChI=1S/C15H30O4/c1-2-8-13(16)9-6-4-3-5-7-10-14(17)11-12-15(18)19/h13-14,16-17H,2-12H2,1H3,(H,18,19)/t13-,14-/m0/s1.
What are the key properties of (4S,12S)-4,12-dihydroxypentadecanoic acid?
(4S,12S)-4,12-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 (4S,12S)-4,12-dihydroxypentadecanoic acid is sourced from PubChem (CID 163083389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).