(+)-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.

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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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