chempirical

3-O-Ethylascorbic acid

C8H12O6CAS 86404-04-8204.18 g/mol

Open in Covalent MOL file
OOHOOHOHO
AlcoholAlkeneEsterEtherLactone

Properties

Molecular formula
C8H12O6
Molar mass
204.18 g/mol
Exact mass
204.0634 Da
Melting point
116–117.5 °C
logP
-0.93Crippen estimate
Polar surface area
96.2 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
4
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
86404-04-8
SMILES
CCOC1=C(O)C(=O)O[C@@H]1[C@@H](O)CO
InChIKey
ZGSCRDSBTNQPMS-UJURSFKZSA-N
InChI
InChI=1S/C8H12O6/c1-2-13-7-5(11)8(12)14-6(7)4(10)3-9/h4,6,9-11H,2-3H2,1H3/t4-,6+/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • L-Ascorbic acid, 3-O-ethyl-
  • 3-O-Ethyl-L-ascorbic acid
  • L-Ascorbic acid 3-O-ethyl ether
  • VC Ethyl
  • COS-VCE
  • ENB-VCE

Work with 3-O-Ethylascorbic acid

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

Similar compounds

Chemistry of ascorbic acid50-81-760 % similar Erythorbic acid89-65-660 % similar Dehydroascorbic acid490-83-547 % similar Ascorbyl palmitate137-66-641 % similar Sodium ascorbyl phosphate66170-10-339 % similar Sodium ascorbate134-03-239 % similar Sodium erythorbate6381-77-739 % similar D-Erythro-hex-2-enonic acid, γ-lactone, sodium salt (1:?)7378-23-639 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook