chempirical

(+)-5,6-O-Isopropylidene-L-ascorbic acid

C9H12O6CAS 15042-01-0216.19 g/mol

Open in Covalent MOL file
OOOOOHOH
AcetalAlkeneEsterEtherLactone

Properties

Molecular formula
C9H12O6
Molar mass
216.19 g/mol
Exact mass
216.0634 Da
logP
0.39Crippen estimate
Polar surface area
85.2 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
1
Stereocentres
S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
15042-01-0
SMILES
CC1(OC[C@H](O1)[C@@H]2C(=C(C(=O)O2)O)O)C
InChIKey
POXUQBFHDHCZAD-MHTLYPKNSA-N
InChI
InChI=1S/C9H12O6/c1-9(2)13-3-4(15-9)7-5(10)6(11)8(12)14-7/h4,7,10-11H,3H2,1-2H3/t4-,7+/m0/s1

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Names and synonyms

1 names
  • L-Ascorbic acid, 5,6-O-(1-methylethylidene)-

Work with (+)-5,6-O-Isopropylidene-L-ascorbic 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 acid50-81-745 % similar Erythorbic acid89-65-645 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-ribo-hexofuranos-3-ulose2847-00-945 % similar 1,2:5,6-Di-O-isopropylidene-D-mannitol1707-77-343 % similar Sodium ascorbate134-03-242 % similar Sodium erythorbate6381-77-742 % similar D-Erythro-Hex-2-enonic acid, γ-lactone, sodium salt (1:?)7378-23-642 % similar Ascorbyl palmitate137-66-641 % similar

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

Same formula

D-Glucurono-6,3-lactone acetonide20513-98-8

Elsewhere

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