ChemSpider 2D Image | 3-Acetamido-3-deoxy-D-allose | C8H15NO6

3-Acetamido-3-deoxy-D-allose

  • Molecular FormulaC8H15NO6
  • Average mass221.208 Da
  • Monoisotopic mass221.089935 Da
  • ChemSpider ID30988203

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-Acetamido-3-deoxy-D-allose [ACD/IUPAC Name]
3-Acetamido-3-desoxy-D-allose [German] [ACD/IUPAC Name]
3-Acétamido-3-désoxy-D-allose [French] [ACD/IUPAC Name]
D-Allose, 3-(acetylamino)-3-deoxy- [ACD/Index Name]
102185-26-2 [RN]
14086-88-5 [RN]
MFCD00067504 [MDL number]
N-((2R,3R,4S,5R)-2,4,5,6-Tetrahydroxy-1-oxohexan-3-yl)acetamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 659.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.1±6.0 kJ/mol
Flash Point: 352.7±31.5 °C
Index of Refraction: 1.542
Molar Refractivity: 48.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.82
ACD/LogD (pH 5.5): -1.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.47
ACD/LogD (pH 7.4): -1.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.47
Polar Surface Area: 127 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 69.6±3.0 dyne/cm
Molar Volume: 155.4±3.0 cm3

Click to predict properties on the Chemicalize site


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