ChemSpider 2D Image | Ethyl [(2R,3R,4S,5S,6S)-6-carbamoyl-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]carbamate (non-preferred name) | C9H16N2O7

Ethyl [(2R,3R,4S,5S,6S)-6-carbamoyl-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]carbamate (non-preferred name)

  • Molecular FormulaC9H16N2O7
  • Average mass264.233 Da
  • Monoisotopic mass264.095764 Da
  • ChemSpider ID62638702

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(2R,3R,4S,5S,6S)-6-Carbamoyl-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]carbamate d'éthyle (non-preferred name) [French] [ACD/IUPAC Name]
Ethyl [(2R,3R,4S,5S,6S)-6-carbamoyl-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]carbamate (non-preferred name) [ACD/IUPAC Name]
Ethyl-[(2R,3R,4S,5S,6S)-6-carbamoyl-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]carbamat (non-preferred name) [German] [ACD/IUPAC Name]
3080-02-2 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 603.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.9±6.0 kJ/mol
Flash Point: 318.6±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 57.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.74
ACD/LogD (pH 7.4): -1.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.73
Polar Surface Area: 151 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 76.7±5.0 dyne/cm
Molar Volume: 172.6±5.0 cm3

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