p-Nitrophenyl 2-acetamido-2-deoxy-α-D-glucopyranoside

C14H18N2O8CAS 10139-02-3342.30 g/mol

Open in Covalent MOL file
OHNON+OO−OHOHOHO
AcetalAlcoholEtherNitro

Properties

Molecular formula
C14H18N2O8
Molar mass
342.30 g/mol
Exact mass
342.1063 Da
logP
-0.24Crippen estimate
Polar surface area
154.9 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
5
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
10139-02-3
SMILES
CC(O)=N[C@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIKey
OMRLTNCLYHKQCK-KSTCHIGDSA-N
InChI
InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14+/m1/s1

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Names and synonyms

5 names
  • α-D-Glucopyranoside, 4-nitrophenyl 2-(acetylamino)-2-deoxy-
  • Glucopyranoside, p-nitrophenyl 2-acetamido-2-deoxy-, α-D-
  • α-D-Glucoside, p-nitrophenyl 2-acetamido-2-deoxy-
  • 4-Nitrophenyl 2-(acetylamino)-2-deoxy-α-D-glucopyranoside
  • 4′-Nitrophenyl-2-acetamido-2-deoxy-α-D-glucopyranoside

Work with p-Nitrophenyl 2-acetamido-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

p-Nitrophenyl N-acetyl-β-D-glucosaminide3459-18-5Diastereomer p-Nitrophenyl-N-acetyl-β-D-galactosaminide14948-96-0Diastereomer

Similar compounds

Phenyl 2-(acetylamino)-2-deoxy-α-D-glucopyranoside10139-04-571 % similar p-Nitrophenyl α-D-mannopyranoside10357-27-467 % similar p-Nitrophenyl beta-D-glucopyranoside2492-87-767 % similar p-Nitrophenyl β-D-galactopyranoside3150-24-167 % similar p-Nitrophenyl β-D-mannopyranoside35599-02-167 % similar p-Nitrophenyl α-D-glucopyranoside3767-28-067 % similar p-Nitrophenyl α-D-galactopyranoside7493-95-067 % similar 4-Nitrophenyl beta-cellobioside3482-57-361 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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