chempirical

Retinyl palmitate

C36H60O2CAS 79-81-2524.87 g/mol

Open in Covalent MOL file
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AlkeneEster

Properties

Molecular formula
C36H60O2
Molar mass
524.87 g/mol
Exact mass
524.4593 Da
Melting point
28–29 °C
logP
11.54Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
20
Double bonds
E, E, E, EE/Z, in SMILES order

Identifiers

CAS number
79-81-2
SMILES
CCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIKey
VYGQUTWHTHXGQB-FFHKNEKCSA-N
InChI
InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+

Weigh it out

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

Names and synonyms

28 names · show all
  • Retinol, hexadecanoate
  • Retinol, palmitate, all-trans-
  • Retinol palmitate
  • Arovit
  • Dispatabs tabs
  • Myvak
  • Myvax
  • Testavol S
  • All-trans-Vitamin A palmitate
  • Vitamin A palmitate
  • Axerophthol palmitate
  • Aquasol A
  • Aquapalm
  • All-trans-Retinol palmitate
  • All-trans-Retinyl palmitate
  • trans-Retinyl palmitate
  • trans-Retinol palmitate
  • Palmitic acid, ester with retinol
  • Vitazyme A
  • Arovit (roche)
  • Lutavit A 500 plus
  • Optovit A
  • VAP 250CK-CWD
  • VAP 250MS-CWD
  • 250S/N
  • 250S/N-B
  • Riken A palmitate 1000E
  • Retiblan

Work with Retinyl palmitate

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

Retinyl acetate127-47-971 % similar β-Carotene7235-40-759 % similar Vitamin A11103-57-458 % similar Retinol68-26-858 % similar Retinal116-31-457 % similar Retinoic acid302-79-455 % similar Isotretinoin4759-48-255 % similar 9-cis-Retinoic acid5300-03-855 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia