ChemSpider 2D Image | N-[(Hydroxymethyl)carbamoyl]-D-glucopyranosylamine | C8H16N2O7

N-[(Hydroxymethyl)carbamoyl]-D-glucopyranosylamine

  • Molecular FormulaC8H16N2O7
  • Average mass252.222 Da
  • Monoisotopic mass252.095749 Da
  • ChemSpider ID57368667

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

D-Glucopyranosylamine, N-[[(hydroxymethyl)amino]carbonyl]- [ACD/Index Name]
N-[(Hydroxymethyl)carbamoyl]-D-glucopyranosylamin [German] [ACD/IUPAC Name]
N-[(Hydroxymethyl)carbamoyl]-D-glucopyranosylamine [ACD/IUPAC Name]
N-[(Hydroxyméthyl)carbamoyl]-D-glucopyranosylamine [French] [ACD/IUPAC Name]
1-(Hydroxymethyl)-3-((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)urea
55756-05-3 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 657.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±6.0 kJ/mol
Flash Point: 351.3±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 53.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.42
ACD/LogD (pH 5.5): -2.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 97.5±5.0 dyne/cm
Molar Volume: 152.0±5.0 cm3

Click to predict properties on the Chemicalize site


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