ChemSpider 2D Image | (2S,3R,4S,5R)-6-Amino-2,3,4,5-tetrahydroxy-6-oxohexanoic acid (non-preferred name) | C6H11NO7

(2S,3R,4S,5R)-6-Amino-2,3,4,5-tetrahydroxy-6-oxohexanoic acid (non-preferred name)

  • Molecular FormulaC6H11NO7
  • Average mass209.154 Da
  • Monoisotopic mass209.053558 Da
  • ChemSpider ID75139970

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3R,4S,5R)-6-Amino-2,3,4,5-tetrahydroxy-6-oxohexanoic acid (non-preferred name) [ACD/IUPAC Name]
(2S,3R,4S,5R)-6-Amino-2,3,4,5-tetrahydroxy-6-oxohexansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (2S,3R,4S,5R)-6-amino-2,3,4,5-tétrahydroxy-6-oxohexanoïque (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 823.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.2±6.0 kJ/mol
Flash Point: 451.9±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 41.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.02
ACD/LogD (pH 5.5): -5.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 125.3±3.0 dyne/cm
Molar Volume: 114.5±3.0 cm3

Click to predict properties on the Chemicalize site


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