chempirical

D-Gluconic acid δ-lactone 2,3,4,6-tetraacetate

C14H18O10CAS 61259-48-1346.29 g/mol

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EsterLactone

Properties

Molecular formula
C14H18O10
Molar mass
346.29 g/mol
Exact mass
346.0900 Da
Melting point
103 °C
logP
-0.73Crippen estimate
Polar surface area
131.5 Ų
H-bond donors / acceptors
0 / 10
Rotatable bonds
5
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
61259-48-1
SMILES
CC(=O)OC[C@H]1OC(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey
BWFISYIJSZXAOV-FVCCEPFGSA-N
InChI
InChI=1S/C14H18O10/c1-6(15)20-5-10-11(21-7(2)16)12(22-8(3)17)13(14(19)24-10)23-9(4)18/h10-13H,5H2,1-4H3/t10-,11-,12+,13-/m1/s1

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Names and synonyms

1 names
  • D-Gluconic acid, δ-lactone, 2,3,4,6-tetraacetate

Work with D-Gluconic acid δ-lactone 2,3,4,6-tetraacetate

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

1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-558 % similar 1,2,3,5-Tetra-O-acetyl--L-ribofuranose144490-03-958 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-156 % similar β-D-Galactose pentaacetate4163-60-456 % similar α-D-Mannose pentaacetate4163-65-956 % similar Penta-O-acetyl-α-D-glucopyranose604-68-256 % similar β-D-Glucose pentaacetate604-69-356 % similar Glucose pentaacetate83-87-456 % similar

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

Elsewhere

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