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

C₁₅H₂₁NO₆CAS 13343-62-9311.33 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₁₅H₂₁NO₆
Molar mass: 311.33 g/mol
Exact mass: 311.1369 Da
Melting point: 183–184 °C
logP: -0.01Crippen estimate
Polar surface area: 111.7 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 5
Stereocentres: R, S, R, S, Rin SMILES atom order

Identifiers

CAS number

13343-62-9

SMILES

CC(O)=N[C@H]1[C@@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O

InChIKey

SKOZFDIGKDPQBO-RYPNDVFKSA-N

InChI

InChI=1S/C15H21NO6/c1-9(18)16-12-14(20)13(19)11(7-17)22-15(12)21-8-10-5-3-2-4-6-10/h2-6,11-15,17,19-20H,7-8H2,1H3,(H,16,18)/t11-,12-,13-,14-,15+/m1/s1

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

Names and synonyms

4 names

α-D-Glucopyranoside, phenylmethyl 2-(acetylamino)-2-deoxy-
Glucopyranoside, benzyl 2-acetamido-2-deoxy-, α-D-
α-D-Glucopyranoside, benzyl 2-acetamido-2-deoxy-
Benzyl 2-acetamido-2-deoxy-α-D-glucopyranoside

Work with Phenylmethyl 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

Phenyl 2-(acetylamino)-2-deoxy-α-D-glucopyranoside10139-04-572 % similar Phenylmethyl 2-(acetylamino)-2-deoxy-4,6-O-(phenylmethylene)-α-D-glucopyranoside13343-63-067 % similar N-Acetyl-α-D-galactosamine14215-68-057 % similar N-Acetylmannosamine7772-94-357 % similar P-Nitrophenyl 2-acetamido-2-deoxy-α-D-glucopyranoside10139-02-355 % similar P-Nitrophenyl-N-acetyl-β-D-galactosaminide14948-96-055 % similar P-Nitrophenyl N-acetyl-β-D-glucosaminide3459-18-555 % similar N,N′-Diacetylchitobiose35061-50-850 % similar

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

Elsewhere

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