chempirical

2-Acetamido-4,6-O-benzylidene-2-deoxy-D-glucopyranose

C15H19NO6CAS 29776-43-0309.32 g/mol

Open in Covalent MOL file
OHNOOOHOHO
AcetalAlcoholAmideEther

Properties

Molecular formula
C15H19NO6
Molar mass
309.32 g/mol
Exact mass
309.1212 Da
logP
-0.32Crippen estimate
Polar surface area
97.3 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
2
Stereocentres
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. Search the SDS library

Identifiers

CAS number
29776-43-0
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)C3=CC=CC=C3)OC1O)O
InChIKey
OIXDAEIOQFFRMF-SNNRFPGISA-N
InChI
InChI=1S/C15H19NO6/c1-8(17)16-11-12(18)13-10(21-14(11)19)7-20-15(22-13)9-5-3-2-4-6-9/h2-6,10-15,18-19H,7H2,1H3,(H,16,17)/t10-,11-,12-,13-,14?,15?/m1/s1

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Work with 2-Acetamido-4,6-O-benzylidene-2-deoxy-D-glucopyranose

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

Benzyl N-acetyl-4,6-O-benzylidenemuramic acid74842-55-059 % similar Methyl 4,6-O-benzylidene-α-D-glucopyranoside3162-96-752 % similar Phenylmethyl 2-(acetylamino)-2-deoxy-4,6-O-(phenylmethylene)-α-D-glucopyranoside13343-63-046 % similar 1,3:4,6-Di-O-benzylidene-D-mannitol28224-73-942 % similar Di(p-tolylidene)sorbitol54686-97-438 % similar 4-Methyl-2-phenyl-1,3-dioxolane2568-25-437 % similar Methyl-2-acetamido-2-deoxy-D-glucopyranoside6082-04-835 % similar Fmoc-ser(galnac(ac)3-alpha-D)-oh120173-57-135 % similar

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

Elsewhere

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