chempirical

O-Nitrophenyl β-D-xylopyranoside

C11H13NO7CAS 10238-27-4271.22 g/mol

Open in Covalent MOL file
ON+O−OOHOHOOH
AcetalAlcoholEtherNitro

Properties

Molecular formula
C11H13NO7
Molar mass
271.22 g/mol
Exact mass
271.0692 Da
Melting point
170–173 °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

Identifiers

CAS number
10238-27-4
SMILES
O=[N+]([O-])c1ccccc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChIKey
YPQCLGUTGDQYNI-DQDDRIPDSA-N
InChI
InChI=1S/C11H13NO7/c13-7-5-18-11(10(15)9(7)14)19-8-4-2-1-3-6(8)12(16)17/h1-4,7,9-11,13-15H,5H2/t7-,9+,10-,11+/m1/s1

Weigh it out

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

Names and synonyms

4 names
  • β-D-Xylopyranoside, 2-nitrophenyl
  • Xylopyranoside, o-nitrophenyl, β-D-
  • Xylopyranoside, o-nitrophenyl
  • 2-Nitrophenyl β-D-xylopyranoside

Work with O-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

2-Nitrophenyl β-D-glucopyranoside2816-24-261 % similar Ortho-nitrophenyl-β-galactoside369-07-361 % similar 1,1′-[1,2-Ethanediylbis(oxy)]bis[2-nitrobenzene]51661-19-947 % similar Phenylmethyl β-L-arabinopyranoside7473-38-346 % similar 1-Ethoxy-2-nitrobenzene610-67-344 % similar O-Nitroanisole91-23-643 % similar 2-Nitrodiphenyl ether2216-12-843 % similar 2-Nitrophenoxyacetic acid1878-87-142 % similar

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

Same formula

P-Nitrophenyl β-D-xylopyranoside2001-96-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook