ChemSpider 2D Image | (1R,4S,5S)-1-(Aminooxy)-1,4,5,6-tetrahydroxy-2,3-hexanedione (non-preferred name) | C6H11NO7

(1R,4S,5S)-1-(Aminooxy)-1,4,5,6-tetrahydroxy-2,3-hexanedione (non-preferred name)

  • Molecular FormulaC6H11NO7
  • Average mass209.154 Da
  • Monoisotopic mass209.053558 Da
  • ChemSpider ID59702614

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,4S,5S)-1-(Aminooxy)-1,4,5,6-tetrahydroxy-2,3-hexandion (non-preferred name) [German] [ACD/IUPAC Name]
(1R,4S,5S)-1-(Aminooxy)-1,4,5,6-tetrahydroxy-2,3-hexanedione (non-preferred name) [ACD/IUPAC Name]
(1R,4S,5S)-1-(Aminooxy)-1,4,5,6-tétrahydroxy-2,3-hexanedione (non-preferred name) [French] [ACD/IUPAC Name]
E'aminohexuronic acid'

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

Density: 1.7±0.1 g/cm3
Boiling Point: 570.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.3±6.0 kJ/mol
Flash Point: 298.7±30.1 °C
Index of Refraction: 1.585
Molar Refractivity: 41.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -2.20
ACD/LogD (pH 5.5): -2.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 99.8±3.0 dyne/cm
Molar Volume: 123.0±3.0 cm3

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