p-Nitrophenyl β-D-xylopyranoside

C11H13NO7CAS 2001-96-9271.22 g/mol

Open in Covalent MOL file
ON+O−OOOHHOHO
AcetalAlcoholEtherNitro

Properties

Molecular formula
C11H13NO7
Molar mass
271.22 g/mol
Exact mass
271.0692 Da
Melting point
159–161 °C
logP
-0.59Crippen estimate
Polar surface area
122.3 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
3
Stereocentres
S, R, S, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 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
2001-96-9
SMILES
O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1
InChIKey
MLJYKRYCCUGBBV-YTWAJWBKSA-N
InChI
InChI=1S/C11H13NO7/c13-8-5-18-11(10(15)9(8)14)19-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9+,10-,11+/m1/s1

Weigh it out

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

Names and synonyms

9 names
  • β-D-Xylopyranoside, 4-nitrophenyl
  • Xylopyranoside, p-nitrophenyl, β-D-
  • Xylopyranoside, p-nitrophenyl
  • 4-Nitrophenyl β-D-xylopyranoside
  • p-Nitrophenyl β-xylopyranoside
  • p-Nitrophenyl β-D-xyloside
  • p-Nitrophenol β-D-xyloside
  • NSC 371094
  • p-Nitrophenyl beta-D-xylopyranoside

Work with p-Nitrophenyl β-D-xylopyranoside

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

p-Nitrophenyl α-D-mannopyranoside10357-27-459 % similar p-Nitrophenyl beta-D-glucopyranoside2492-87-759 % similar p-Nitrophenyl β-D-galactopyranoside3150-24-159 % similar p-Nitrophenyl β-D-mannopyranoside35599-02-159 % similar p-Nitrophenyl α-D-glucopyranoside3767-28-059 % similar p-Nitrophenyl α-D-galactopyranoside7493-95-059 % similar p-Nitrophenyl α-L-fucoside10231-84-258 % similar 4-Nitrophenyl beta-D-Fucopyranoside1226-39-758 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

o-Nitrophenyl β-D-xylopyranoside10238-27-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook