ChemSpider 2D Image | (1R)-2-Acetamido-1,5-anhydro-2-deoxy-1-(nitromethyl)-D-allitol | C9H16N2O7

(1R)-2-Acetamido-1,5-anhydro-2-deoxy-1-(nitromethyl)-D-allitol

  • Molecular FormulaC9H16N2O7
  • Average mass264.233 Da
  • Monoisotopic mass264.095764 Da
  • ChemSpider ID27472166

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R)-2-Acetamido-1,5-anhydro-2-deoxy-1-(nitromethyl)-D-allitol [ACD/IUPAC Name]
(1R)-2-Acetamido-1,5-anhydro-2-desoxy-1-(nitromethyl)-D-allitol [German] [ACD/IUPAC Name]
(1R)-2-Acétamido-1,5-anhydro-2-désoxy-1-(nitrométhyl)-D-allitol [French] [ACD/IUPAC Name]
D-glycero-L-allo-Heptitol, 5-(acetylamino)-2,6-anhydro-5,7-dideoxy-7-nitro- [ACD/Index Name]
129601-61-2 [RN]
2-ACETAMIDO-2-DEOXY-B-D-GLUCOPYRANOSYLNITROMETHANE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 626.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.2±6.0 kJ/mol
Flash Point: 332.5±31.5 °C
Index of Refraction: 1.563
Molar Refractivity: 57.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.66
ACD/LogD (pH 5.5): -1.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.54
ACD/LogD (pH 7.4): -1.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.65
Polar Surface Area: 145 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 70.1±5.0 dyne/cm
Molar Volume: 177.8±5.0 cm3

Click to predict properties on the Chemicalize site


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