chempirical

D-Glucurono-6,3-lactone acetonide

C9H12O6CAS 20513-98-8216.19 g/mol

Open in Covalent MOL file
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AcetalAlcoholEsterEtherLactone

Properties

Molecular formula
C9H12O6
Molar mass
216.19 g/mol
Exact mass
216.0634 Da
logP
-0.85Crippen estimate
Polar surface area
74.2 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
0
Stereocentres
R, S, R, 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
20513-98-8
SMILES
CC1(O[C@@H]2[C@@H]3[C@@H]([C@@H](C(=O)O3)O)O[C@@H]2O1)C
InChIKey
BDBGJSXZKMTMGP-UXTLFEIASA-N
InChI
InChI=1S/C9H12O6/c1-9(2)14-6-5-4(13-8(6)15-9)3(10)7(11)12-5/h3-6,8,10H,1-2H3/t3-,4+,5-,6+,8+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Alpha-D-Glucofuranuronic acid, 1,2-O-(1-methylethylidene)-, gamma-lactone

Work with D-Glucurono-6,3-lactone acetonide

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

3-O-Acetyl-1,2:5,6-di-O-isopropylidene-α-D-glucofuranose16713-80-746 % similar 1,2:3,4-Di-O-isopropylidene-α-D-galactopyranose4064-06-640 % similar 1,2-O-Isopropylidene-α-D-glucofuranose18549-40-140 % similar 2,3-O-Isopropylidene-D-ribonolactone30725-00-940 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-gulofuranose14686-89-639 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-allofuranose2595-05-339 % similar 2,3-O-Isopropylidene-1-O-methyl-D-ribosic acid54622-95-639 % similar Diacetone-D-glucose582-52-539 % similar

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

Same formula

(+)-5,6-O-Isopropylidene-L-ascorbic acid15042-01-0

Elsewhere

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