Vitamin A

C₂₀H₃₀OCAS 11103-57-4286.46 g/mol

Open in Covalent MOL file

Alcohol Alkene

Properties

Molecular formula: C₂₀H₃₀O
Molar mass: 286.46 g/mol
Exact mass: 286.2297 Da
Melting point: 62–64 °C
Water solubility: practically insoluble
logP: 5.51Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 5
Double bonds: E, E, E, EE/Z, in SMILES order

Hazards

Danger

H302 Harmful if swallowed15.8% of notifiers
H317 May cause an allergic skin reaction74.9% of notifiers
H319 Causes serious eye irritation75.6% of notifiers
H360 May damage fertility or the unborn child88.1% of notifiers
H413 May cause long lasting harmful effects to aquatic life74.9% of notifiers

Aggregated from 311 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P333+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

11103-57-4

SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C

InChIKey

FPIPGXGPPPQFEQ-OVSJKPMPSA-N

InChI

InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+

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Names and synonyms

8 names

Provitamin A
Hydrovit A
LPK
Microvit A
Chocola A
Rovimix A 500
Lutavit A
Retinol

Work with Vitamin A

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Retinol68-26-8

Similar compounds

Beta-carotene7235-40-778 % similar Retinal116-31-470 % similar Retinoic acid302-79-466 % similar Isotretinoin4759-48-266 % similar 9-cis-Retinoic acid5300-03-866 % similar Retinyl acetate127-47-965 % similar Retinyl retinoate15498-86-963 % similar α-Carotene7488-99-560 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook