Vitamin A acetateProduct ingredient for Vitamin A
- Name
- Vitamin A acetate
- 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
- DBSALT001720
- Structure
Structure for Vitamin A acetate (DBSALT001720)
- Synonyms
- all-(E)-retinol acetate / all-trans-retinol acetate / Retinol acetate / Retinyl acetate / Vitamin A (as acetate)
- External IDs
- NSC-122045 / NSC-122760
- UNII
- 3LE3D9D6OY
- CAS Number
- 127-47-9
- Weight
- Average: 328.496
Monoisotopic: 328.24023027 - Chemical Formula
- C22H32O2
- InChI Key
- QGNJRVVDBSJHIZ-QHLGVNSISA-N
- InChI
- InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+
- 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 acetate
- SMILES
- CC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
- External Links
- ChemSpider
- 553599
- BindingDB
- 50442911
- ChEBI
- 32095
- ChEMBL
- CHEMBL486193
- ZINC
- ZINC000003874857
- Wikipedia
- Retinyl_acetate
- Predicted Properties
Property Value Source Water Solubility 0.00238 mg/mL ALOGPS logP 6.56 ALOGPS logP 5.14 Chemaxon logS -5.1 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 7 Chemaxon Refractivity 107.07 m3·mol-1 Chemaxon Polarizability 40.75 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon