Vitamin A palmitateProduct ingredient for Vitamin A

Name
Vitamin A palmitate
Drug Entry
Vitamin A

Retinol and derivatives of retinol that play an essential role in metabolic functioning of the retina, the growth of and differentiation of epithelial tissue, the growth of bone, reproduction, and the immune response. Dietary vitamin A is derived from a variety of carotenoids found in plants. It is enriched in the liver, egg yolks, and the fat component of dairy products.

Accession Number
DBSALT000855
Structure
Thumb
Synonyms
all-(E)-retinol palmitate / all-trans-retinyl hexadecanoate / all-trans-retinyl palmitate / Retinol palmitate / Retinol, hexadecanoate / Retinol, palmitate, all-trans / Retinyl palmitate
UNII
1D1K0N0VVC
CAS Number
79-81-2
Weight
Average: 524.8604
Monoisotopic: 524.459331164
Chemical Formula
C36H60O2
InChI Key
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+
IUPAC Name
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl hexadecanoate
SMILES
CCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
External Links
Human Metabolome Database
HMDB0003648
KEGG Drug
D00164
KEGG Compound
C02588
PubChem Compound
5280531
ChemSpider
4444162
ChEBI
17616
ChEMBL
CHEMBL1675
Wikipedia
Retinyl_palmitate
Predicted Properties
PropertyValueSource
Water Solubility8.07e-05 mg/mLALOGPS
logP10.12ALOGPS
logP11.62ChemAxon
logS-6.8ALOGPS
pKa (Strongest Basic)-7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area26.3 Å2ChemAxon
Rotatable Bond Count21ChemAxon
Refractivity171.51 m3·mol-1ChemAxon
Polarizability70.5 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon