Phenyl 2-(acetylamino)-2-deoxy-α-D-glucopyranoside

C14H19NO6CAS 10139-04-5297.31 g/mol

Open in Covalent MOL file
OHNOOHOHOHO
AcetalAlcoholEther

Properties

Molecular formula
C14H19NO6
Molar mass
297.31 g/mol
Exact mass
297.1212 Da
logP
-0.15Crippen estimate
Polar surface area
111.7 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
4
Stereocentres
R, R, R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
10139-04-5
SMILES
CC(O)=N[C@H]1[C@@H](Oc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIKey
ZUJDLWWYFIZERS-KSTCHIGDSA-N
InChI
InChI=1S/C14H19NO6/c1-8(17)15-11-13(19)12(18)10(7-16)21-14(11)20-9-5-3-2-4-6-9/h2-6,10-14,16,18-19H,7H2,1H3,(H,15,17)/t10-,11-,12-,13-,14+/m1/s1

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Names and synonyms

4 names
  • α-D-Glucopyranoside, phenyl 2-(acetylamino)-2-deoxy-
  • Glucopyranoside, phenyl 2-acetamido-2-deoxy-, α-D-
  • Phenyl 2-acetamido-2-deoxy-α-D-glucopyranoside
  • Phenyl N-acetyl-α-D-glucosaminide

Work with Phenyl 2-(acetylamino)-2-deoxy-α-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

Phenylmethyl 2-(acetylamino)-2-deoxy-α-D-glucopyranoside13343-62-972 % similar p-Nitrophenyl 2-acetamido-2-deoxy-α-D-glucopyranoside10139-02-371 % similar p-Nitrophenyl-N-acetyl-β-D-galactosaminide14948-96-071 % similar p-Nitrophenyl N-acetyl-β-D-glucosaminide3459-18-571 % similar Phenyl β-D-glucopyranoside1464-44-462 % similar Phenyl β-D-galactopyranoside2818-58-862 % similar Phenyl α-D-glucopyranoside4630-62-062 % similar N-Acetyl-α-D-glucosamine10036-64-360 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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