chempirical

1-Oleoyl-2-acetyl-sn-glycerol

C23H42O5CAS 86390-77-4398.58 g/mol

Open in Covalent MOL file
OOOHOO
AlcoholAlkeneEster

Properties

Molecular formula
C23H42O5
Molar mass
398.58 g/mol
Exact mass
398.3032 Da
logP
5.49Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
19
Stereocentres
Sin SMILES atom order
Double bonds
ZE/Z, in SMILES order

Hazards

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

Identifiers

CAS number
86390-77-4
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)C
InChIKey
PWTCCMJTPHCGMS-YRBAHSOBSA-N
InChI
InChI=1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)27-20-22(19-24)28-21(2)25/h10-11,22,24H,3-9,12-20H2,1-2H3/b11-10-/t22-/m0/s1

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Names and synonyms

1 names
  • 1-Oleoyl-2-acetylglycerol

Work with 1-Oleoyl-2-acetyl-sn-glycerol

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

DAG-18:1/18:125637-84-782 % similar (±)-1,2-Dipalmitoylglycerol40290-32-270 % similar 1,2-Dioctanoyl-sn-glycerol60514-48-970 % similar Triolein122-32-767 % similar Glycerol 1-monooleate111-03-565 % similar Monoolein25496-72-465 % similar Linolein537-40-663 % similar 1-Monolinolein2277-28-361 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,15-Diethyl 2,2,14,14-tetramethyl-8-oxopentadecanedioate738606-43-4

Elsewhere

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