chempirical

Methyl-2-acetamido-2-deoxy-D-glucopyranoside

C9H17NO6CAS 6082-04-8235.24 g/mol

Open in Covalent MOL file
OHNOOOHOHHO
AcetalAlcoholAmideEther

Properties

Molecular formula
C9H17NO6
Molar mass
235.24 g/mol
Exact mass
235.1056 Da
logP
-2.42Crippen estimate
Polar surface area
108.3 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
3
Stereocentres
R, R, S, R, Sin 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
6082-04-8
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O
InChIKey
ZEVOCXOZYFLVKN-OKNNCHMLSA-N
InChI
InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9+/m1/s1

Weigh it out

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Names and synonyms

1 names
  • Methyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside

Work with Methyl-2-acetamido-2-deoxy-D-glucopyranoside

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

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

Elsewhere

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