ChemSpider 2D Image | B-D-GALACTOPYRANOSYL NITROMETHANE | C7H13NO7

B-D-GALACTOPYRANOSYL NITROMETHANE

  • Molecular FormulaC7H13NO7
  • Average mass223.181 Da
  • Monoisotopic mass223.069199 Da
  • ChemSpider ID31150060

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-(nitromethyl)-D-galactitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(nitromethyl)-D-galactitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(nitrométhyl)-D-galactitol [French] [ACD/IUPAC Name]
2,6-Anhydro-7-deoxy-7-nitro-L-glycero-L-galacto-heptitol
81846-64-2 [RN]
B-D-GALACTOPYRANOSYL NITROMETHANE
D-glycero-L-manno-Heptitol, 2,6-anhydro-1-deoxy-1-nitro- [ACD/Index Name]
(2R,3R,4R,5R,6S)-2-(Hydroxymethyl)-6-(nitromethyl)oxane-3,4,5-triol
β-D-GALACTOPYRANOSYL NITROMETHANE
β-D-GALACTOPYRANOSYLNITROMETHANE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 497.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.1±6.0 kJ/mol
Flash Point: 254.5±28.7 °C
Index of Refraction: 1.572
Molar Refractivity: 46.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.94
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.11
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.67
Polar Surface Area: 136 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 71.0±3.0 dyne/cm
Molar Volume: 140.9±3.0 cm3

Click to predict properties on the Chemicalize site


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