chempirical

tert-Butyl (4R-cis)-6-formaldehydel-2,2-dimethyl-1,3-dioxane-4-acetate

C13H22O5CAS 124752-23-4258.31 g/mol

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AcetalAldehydeEsterEther

Properties

Molecular formula
C13H22O5
Molar mass
258.31 g/mol
Exact mass
258.1467 Da
logP
1.83Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
3
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
124752-23-4
SMILES
CC1(O[C@H](C[C@H](O1)C=O)CC(=O)OC(C)(C)C)C
InChIKey
JEFQIIXBSQLRTF-ZJUUUORDSA-N
InChI
InChI=1S/C13H22O5/c1-12(2,3)18-11(15)7-9-6-10(8-14)17-13(4,5)16-9/h8-10H,6-7H2,1-5H3/t9-,10+/m1/s1

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Names and synonyms

1 names
  • tert-Butyl 3,5-dideoxy-2,4-O-(1-methylethylidene)-L-erythro-hexuronate

Work with tert-Butyl (4R-cis)-6-formaldehydel-2,2-dimethyl-1,3-dioxane-4-acetate

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

1,1-Dimethylethyl 2,4-dideoxy-3,5-O-(1-methylethylidene)-D-erythro-hexonate124655-09-063 % similar 1,1-Dimethylethyl (4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate125971-94-060 % similar 1,1-Dimethylethyl (4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate125995-13-360 % similar tert-Butyl 2-[(4R,6S)-2,2-dimethyl-6-[(methylcarbonyloxy)methyl]-1,3-dioxan-4-yl]acetate154026-95-657 % similar (4S)-2,2-Dimethyl-1,3-dioxolane-4-carboxaldehyde22323-80-444 % similar 1,1-Dimethylethyl (4R,6S)-6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate289042-12-242 % similar 1,3-Bis(1,1-dimethylethyl) propanedioate541-16-238 % similar 4-(1,1-Dimethylethyl) hydrogen L-aspartate3057-74-738 % similar

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

Elsewhere

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