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
Thumb
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
Wikipedia
Retinyl_acetate
Predicted Properties
PropertyValueSource
Water Solubility0.00238 mg/mLALOGPS
logP6.56ALOGPS
logP5.14ChemAxon
logS-5.1ALOGPS
pKa (Strongest Basic)-7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area26.3 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity107.07 m3·mol-1ChemAxon
Polarizability40.75 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon