chempirical

2-Azido-2-deoxy-D-glucopyranose 1,3,4,6-tetraacetate

C14H19N3O9CAS 171032-74-9373.32 g/mol

Open in Covalent MOL file
OOOOONN+N−OOOO
AcetalAzideEsterEther

Properties

Molecular formula
C14H19N3O9
Molar mass
373.32 g/mol
Exact mass
373.1121 Da
logP
0.38Crippen estimate
Polar surface area
163.2 Ų
H-bond donors / acceptors
0 / 10
Rotatable bonds
6
Stereocentres
R, S, R, Rin SMILES atom order

Identifiers

CAS number
171032-74-9
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC(=O)C)N=[N+]=[N-])OC(=O)C)OC(=O)C
InChIKey
QKGHBQJLEHAMKJ-GNMOMJPPSA-N
InChI
InChI=1S/C14H19N3O9/c1-6(18)22-5-10-12(23-7(2)19)13(24-8(3)20)11(16-17-15)14(26-10)25-9(4)21/h10-14H,5H2,1-4H3/t10-,11-,12-,13-,14?/m1/s1

Weigh it out

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

Work with 2-Azido-2-deoxy-D-glucopyranose 1,3,4,6-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

2-Acetamido-2-deoxy-3,4,6-tri-O-acetyl-β-D-glucopyranosyl azide6205-69-264 % similar 2-Acetamido-1,3,4,6-tetrakis-(O-acetyl)-2-deoxy-D-galactospyranose3006-60-863 % similar N-Acetyl-β-D-glucosamine tetraacetate7772-79-463 % similar 1,3,4,6-Tetra-O-acetyl-2-acetamido-2-deoxy-α-D-glucopyranose7784-54-563 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-163 % similar β-D-Galactose pentaacetate4163-60-463 % similar α-D-Mannose pentaacetate4163-65-963 % similar Penta-O-acetyl-α-D-glucopyranose604-68-263 % similar

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

Elsewhere

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