ChemSpider 2D Image | Methyl [(2S)-2-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]carbamate | C9H16N2O8

Methyl [(2S)-2-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]carbamate

  • Molecular FormulaC9H16N2O8
  • Average mass280.232 Da
  • Monoisotopic mass280.090668 Da
  • ChemSpider ID23190208

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

[(2S)-2-Carbamoyl-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]carbamate de méthyle [French] [ACD/IUPAC Name]
Methyl [(2S)-2-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]carbamate [ACD/IUPAC Name]
Methyl-[(2S)-2-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]carbamat [German] [ACD/IUPAC Name]
((S)-2-Carbamoyl-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-carbamic acid methyl ester
CHEMBL319614

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

Density: 1.6±0.1 g/cm3
Boiling Point: 659.1±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: 352.4±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 58.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.59
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.15
ACD/LogD (pH 7.4): -1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.11
Polar Surface Area: 172 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 92.1±5.0 dyne/cm
Molar Volume: 169.9±5.0 cm3

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