chempirical

Kojic acid dipalmitate

C38H66O6CAS 79725-98-7618.94 g/mol

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Ester

Properties

Molecular formula
C38H66O6
Molar mass
618.94 g/mol
Exact mass
618.4859 Da
logP
11.55Crippen estimate
Polar surface area
82.8 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
31

Identifiers

CAS number
79725-98-7
SMILES
CCCCCCCCCCCCCCCC(=O)OCc1cc(=O)c(OC(=O)CCCCCCCCCCCCCCC)co1
InChIKey
SGEADTGIZKXPIP-UHFFFAOYSA-N
InChI
InChI=1S/C38H66O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(40)43-32-34-31-35(39)36(33-42-34)44-38(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,33H,3-30,32H2,1-2H3

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Names and synonyms

4 names
  • Hexadecanoic acid, 4-oxo-6-[[(1-oxohexadecyl)oxy]methyl]-4H-pyran-3-yl ester
  • KAD 15
  • (5-Hexadecanoyloxy-4-oxopyran-2-yl)methyl hexadecanoate
  • Kojic dipalmitate

Work with Kojic acid dipalmitate

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

Furfuryl pentanoate36701-01-648 % similar Phenyl stearate637-55-843 % similar Ethyl octanoate106-32-143 % similar Ethyl stearate111-61-543 % similar Ethyl nonanoate123-29-543 % similar Dioctyl adipate123-79-543 % similar Butyl stearate123-95-543 % similar Ethyl myristate124-06-143 % similar

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

Elsewhere

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