Aleuritic acid

C16H32O5CAS 533-87-9304.43 g/mol

Open in Covalent MOL file
OHOOHOHOH
AlcoholCarboxylic acid

Properties

Molecular formula
C16H32O5
Molar mass
304.43 g/mol
Exact mass
304.2250 Da
Melting point
100.5 °C
logP
2.47Crippen estimate
Polar surface area
98.0 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
15
Stereocentres
S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
533-87-9
SMILES
O=C(O)CCCCCCC[C@H](O)[C@H](O)CCCCCCO
InChIKey
MEHUJCGAYMDLEL-PVRQQBJHNA-N
InChI
InChI=1/C16H32O5/c17-13-9-5-4-7-11-15(19)14(18)10-6-2-1-3-8-12-16(20)21/h14-15,17-19H,1-13H2,(H,20,21)/t14-,15+/s2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Hexadecanoic acid, 9,10,16-trihydroxy-, (9R,10S)-rel-
  • Hexadecanoic acid, 9,10,16-trihydroxy-, (R*,S*)-(±)-
  • Rel-(9R,10S)-9,10,16-Trihydroxyhexadecanoic acid
  • (±)-Erythro-Aleuritic acid
  • DL-erythro-Aleuritic acid
  • α-Aleuritic acid
  • Erythro-Aleuritic acid
  • NSC 7668

Work with Aleuritic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

10-Hydroxydecanoic acid1679-53-471 % similar 11-Hydroxyundecanoic acid3669-80-571 % similar 9-Hydroxynonanoic acid3788-56-571 % similar 15-Hydroxypentadecanoic acid4617-33-871 % similar 12-Hydroxydodecanoic acid505-95-371 % similar Juniperic acid506-13-871 % similar Dioxystearinsaeure120-87-668 % similar Polybutylene succinate25777-14-459 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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