ChemSpider 2D Image | 1,4:3,6-Dianhydro-5-O-nitro-D-(~13~C_6_)glucitol | 13C6H9NO6

1,4:3,6-Dianhydro-5-O-nitro-D-(13C6)glucitol

  • Molecular Formula13C6H9NO6
  • Average mass197.095 Da
  • Monoisotopic mass197.063110 Da
  • ChemSpider ID35467432

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,4:3,6-Dianhydro-5-O-nitro-D-(13C6)glucitol [German] [ACD/IUPAC Name]
1,4:3,6-Dianhydro-5-O-nitro-D-(13C6)glucitol [ACD/IUPAC Name]
1,4:3,6-Dianhydro-5-O-nitro-D-(13C6)glucitol [French] [ACD/IUPAC Name]
D-Glucitol-13C6, 1,4:3,6-dianhydro-, 5-nitrate [ACD/Index Name]
[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
1217604-00-6 [RN]
ISOSORBIDE-13C6 5-MONONITRATE
ISOSORBIDE-13C6,5-MONONITRATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.543
Molar Refractivity: 38.4±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 122.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement