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

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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

PubChem CAS Common Chemistry NIST WebBook