Kojic acid dipalmitate

C38H66O6CAS 79725-98-7618.94 g/mol

Open in Covalent MOL file
OOOOOO
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

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P332+P317, P362+P364, P501

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

Weigh it out

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

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 Glycol distearate627-83-843 % similar Phenyl stearate637-55-843 % similar Butyl laurate106-18-343 % similar Ethyl heptanoate106-30-943 % similar Ethyl octanoate106-32-143 % similar Ethyl dodecanoate106-33-243 % similar Butyl myristate110-36-143 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook