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

C₁₄H₁₉NO₆CAS 10139-04-5297.31 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₁₄H₁₉NO₆
Molar mass: 297.31 g/mol
Exact mass: 297.1212 Da
logP: -0.15Crippen estimate
Polar surface area: 111.7 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 4
Stereocentres: R, R, R, S, Rin SMILES atom order

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

Weigh it out

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

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-galactosamine14215-68-060 % similar

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

Elsewhere

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