chempirical

1,3,4,6-Tetra-O-acetyl-2-deoxy-2-phthalimido-beta-D-glucopyranose

C22H23NO11CAS 10022-13-6477.42 g/mol

Open in Covalent MOL file
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AcetalAmideEsterEtherLactam

Properties

Molecular formula
C22H23NO11
Molar mass
477.42 g/mol
Exact mass
477.1271 Da
logP
0.37Crippen estimate
Polar surface area
151.8 Ų
H-bond donors / acceptors
0 / 11
Rotatable bonds
6
Stereocentres
R, S, R, R, Sin SMILES atom order

Identifiers

CAS number
10022-13-6
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)N2C(=O)C3=CC=CC=C3C2=O)OC(=O)C)OC(=O)C
InChIKey
DUXJAHFLYZUOPT-ACMVSEJYSA-N
InChI
InChI=1S/C22H23NO11/c1-10(24)30-9-16-18(31-11(2)25)19(32-12(3)26)17(22(34-16)33-13(4)27)23-20(28)14-7-5-6-8-15(14)21(23)29/h5-8,16-19,22H,9H2,1-4H3/t16-,17-,18-,19-,22-/m1/s1

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

Names and synonyms

1 names
  • Beta-D-Glucopyranose, 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, 1,3,4,6-tetraacetate

Work with 1,3,4,6-Tetra-O-acetyl-2-deoxy-2-phthalimido-beta-D-glucopyranose

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-ribofuranose13035-61-557 % similar 1,2,3,5-Tetra-O-acetyl--L-ribofuranose144490-03-957 % 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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