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
Structure for Vitamin A palmitate (DBSALT000855)
- 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
- ZINC
- ZINC000008214494
- Wikipedia
- Retinyl_palmitate
- Predicted Properties
Property Value Source Water Solubility 8.07e-05 mg/mL ALOGPS logP 10.12 ALOGPS logP 11.62 Chemaxon logS -6.8 ALOGPS pKa (Strongest Basic) -7 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 26.3 Å2 Chemaxon Rotatable Bond Count 21 Chemaxon Refractivity 171.51 m3·mol-1 Chemaxon Polarizability 70.34 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon