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

(1S)-2-Acetamido-1,5-anhydro-2-deoxy-1-(nitromethyl)-D-glucitol

  • Molecular FormulaC9H16N2O7
  • Average mass264.233 Da
  • Monoisotopic mass264.095764 Da
  • ChemSpider ID27474317

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-2-Acetamido-1,5-anhydro-2-deoxy-1-(nitromethyl)-D-glucitol [ACD/IUPAC Name]
(1S)-2-Acetamido-1,5-anhydro-2-desoxy-1-(nitromethyl)-D-glucitol [German] [ACD/IUPAC Name]
(1S)-2-Acétamido-1,5-anhydro-2-désoxy-1-(nitrométhyl)-D-glucitol [French] [ACD/IUPAC Name]
129601-61-2 [RN]
D-glycero-D-gulo-Heptitol, 3-(acetylamino)-2,6-anhydro-1,3-dideoxy-1-nitro- [ACD/Index Name]
2-Acetamido-2-deoxy-?-D-glucopyranosyl nitromethan
2-ACETAMIDO-2-DEOXY-B-D-GLUCOPYRANOSYLNITROMETHANE
2-Acetamido-2-deoxy-ß-D-glucopyranosyl nitromethan
2-ACETAMIDO-2-DEOXY-β-D-GLUCOPYRANOSYL NITROMETHANE
3-(Acetylamino)-2,6-anhydro-1,3-dideoxy-1-nitro-D-glycero-D-gulo-he ptitol
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    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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