ChemSpider 2D Image | N-[(5s,6r)-5-Hydroxy-6-(Hydroxymethyl)-2-Oxo-5,6-Dihydro-2h-Pyran-3-Yl]acetamide | C8H11NO5

N-[(5s,6r)-5-Hydroxy-6-(Hydroxymethyl)-2-Oxo-5,6-Dihydro-2h-Pyran-3-Yl]acetamide

  • Molecular FormulaC8H11NO5
  • Average mass201.177 Da
  • Monoisotopic mass201.063721 Da
  • ChemSpider ID35035461

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

N-[(5S,6R)-5-Hydroxy-6-(hydroxymethyl)-2-oxo-5,6-dihydro-2H-pyran-3-yl]acetamid (non-preferred name) [German] [ACD/IUPAC Name]
N-[(5s,6r)-5-Hydroxy-6-(Hydroxymethyl)-2-Oxo-5,6-Dihydro-2h-Pyran-3-Yl]acetamide
N-[(5S,6R)-5-Hydroxy-6-(hydroxymethyl)-2-oxo-5,6-dihydro-2H-pyran-3-yl]acetamide (non-preferred name) [ACD/IUPAC Name]
N-[(5S,6R)-5-Hydroxy-6-(hydroxyméthyl)-2-oxo-5,6-dihydro-2H-pyran-3-yl]acétamide (non-preferred name) [French] [ACD/IUPAC Name]
4NN
53685-02-2 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 608.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.7±6.0 kJ/mol
Flash Point: 321.9±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 45.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.56
ACD/LogD (pH 5.5): -1.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.69
ACD/LogD (pH 7.4): -1.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.69
Polar Surface Area: 96 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 140.2±5.0 cm3

Click to predict properties on the Chemicalize site


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