ChemSpider 2D Image | (2S)-3,4,5-Trihydroxy-N-(2-hydroxyethyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-2-carboxamide | C9H17NO7

(2S)-3,4,5-Trihydroxy-N-(2-hydroxyethyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-2-carboxamide

  • Molecular FormulaC9H17NO7
  • Average mass251.234 Da
  • Monoisotopic mass251.100494 Da
  • ChemSpider ID23190418

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

(2S)-3,4,5-Trihydroxy-N-(2-hydroxyethyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-2-carboxamid [German] [ACD/IUPAC Name]
(2S)-3,4,5-Trihydroxy-N-(2-hydroxyethyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-2-carboxamide [ACD/IUPAC Name]
(2S)-3,4,5-Trihydroxy-N-(2-hydroxyéthyl)-6-(hydroxyméthyl)tétrahydro-2H-pyrane-2-carboxamide [French] [ACD/IUPAC Name]
(S)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-carboxylic acid (2-hydroxy-ethyl)-amide
CHEMBL104350

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

Density: 1.6±0.1 g/cm3
Boiling Point: 640.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.3±6.0 kJ/mol
Flash Point: 341.0±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 54.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -2.23
ACD/LogD (pH 5.5): -2.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.39
ACD/LogD (pH 7.4): -2.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.39
Polar Surface Area: 139 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 85.3±3.0 dyne/cm
Molar Volume: 161.1±3.0 cm3

Click to predict properties on the Chemicalize site


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