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Substance Name: 2-Nitrophenyl-beta-D-glucopyranoside
RN: 2816-24-2
InChIKey: KUWPCJHYPSUOFW-RMPHRYRLSA-N

Molecular Formula

  • C12-H15-N-O8

Molecular Weight

  • 301.25
 
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Names and Synonyms

Name of Substance

  • 2-Nitrophenyl-beta-D-glucopyranoside

Synonyms

  • 2-Nitrophenyl beta-D-glucopyranoside
  • 2-Nitrophenyl beta-D-glucoside
  • EINECS 220-568-5
  • NSC 1947
  • o-Nitrophenyl beta-D-glucopyranoside
  • o-Nitrophenyl beta-glucoside

Systematic Names

  • 2-Nitrophenyl beta-D-glucopyranoside
  • beta-D-Glucopyranoside, 2-nitrophenyl (9CI)
  • Glucopyranoside, o-nitrophenyl, beta-D- (8CI)

Registry Numbers

CAS Registry Number

  • 2816-24-2

System Generated Number

  • 0002816242

Structure Descriptors

InChI

1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m1/s1

InChIKey

KUWPCJHYPSUOFW-RMPHRYRLSA-N

Smiles

O=[N+]([O-])c1ccccc1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](CO)O1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.78 (none)   EXP
Water Solubility 2.28E+04 mg/L 25 EST
Vapor Pressure 3.68E-13 mm Hg 25 EST
Henry's Law Constant 4.54E-18 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.47E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.