chempirical

(2S,3R)-Ethyl 3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylpropanoate

C11H20O6CAS 93635-76-8248.27 g/mol

Open in Covalent MOL file
OOOOHOOH
AcetalAlcoholEsterEther

Properties

Molecular formula
C11H20O6
Molar mass
248.27 g/mol
Exact mass
248.1260 Da
logP
-0.19Crippen estimate
Polar surface area
85.2 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
4
Stereocentres
S, R, 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
93635-76-8
SMILES
CCOC(=O)[C@](C)([C@@H]([C@H]1COC(O1)(C)C)O)O
InChIKey
BHCHXRCKXIVVCN-XLDPMVHQSA-N
InChI
InChI=1S/C11H20O6/c1-5-15-9(13)11(4,14)8(12)7-6-16-10(2,3)17-7/h7-8,12,14H,5-6H2,1-4H3/t7-,8-,11+/m1/s1

Weigh it out

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Names and synonyms

1 names
  • D-Arabinonic acid, 2-C-methyl-4,5-O-(1-methylethylidene)-,ethyl ester

Work with (2S,3R)-Ethyl 3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylpropanoate

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

Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoate95058-92-770 % similar 2-C-Methyl-D-ribono-1,4-lactone492-30-847 % similar 1,2:5,6-Di-O-isopropylidene-D-mannitol1707-77-342 % similar Ethyl 2-hydroxyisobutyrate80-55-741 % similar (+)-5,6-O-Isopropylidene-L-ascorbic acid15042-01-040 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-ribo-hexofuranos-3-ulose2847-00-938 % similar Triethyl citrate77-93-038 % similar Ethyl pivalate3938-95-237 % similar

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

Elsewhere

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