ChemSpider 2D Image | (2s,3r,4r)-2,3,4,5-Tetrahydroxy-N-Oxo-Pentanamide | C5H9NO6

(2s,3r,4r)-2,3,4,5-Tetrahydroxy-N-Oxo-Pentanamide

  • Molecular FormulaC5H9NO6
  • Average mass179.128 Da
  • Monoisotopic mass179.042984 Da
  • ChemSpider ID35035891
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2S,3R,4R)-2,3,4,5-Tetrahydroxy-N-oxopentanamid (non-preferred name) [German] [ACD/IUPAC Name]
(2s,3r,4r)-2,3,4,5-Tetrahydroxy-N-Oxo-Pentanamide
(2S,3R,4R)-2,3,4,5-Tetrahydroxy-N-oxopentanamide (non-preferred name) [ACD/IUPAC Name]
(2S,3R,4R)-2,3,4,5-Tétrahydroxy-N-oxopentanamide (non-preferred name) [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 504.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.1±6.0 kJ/mol
Flash Point: 258.9±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 33.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.90
ACD/LogD (pH 5.5): -2.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.89
ACD/LogD (pH 7.4): -2.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.89
Polar Surface Area: 127 Å2
Polarizability: 13.4±0.5 10-24cm3
Surface Tension: 77.7±7.0 dyne/cm
Molar Volume: 101.4±7.0 cm3

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