ChemSpider 2D Image | (2R,3S,6S)-6-Amino-4-(hydroxymethyl)-4-cyclohexene-1,2,3-triol | C7H13NO4

(2R,3S,6S)-6-Amino-4-(hydroxymethyl)-4-cyclohexene-1,2,3-triol

  • Molecular FormulaC7H13NO4
  • Average mass175.182 Da
  • Monoisotopic mass175.084457 Da
  • ChemSpider ID61647952

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2R,3S,6S)-6-Amino-4-(hydroxymethyl)-4-cyclohexen-1,2,3-triol [German] [ACD/IUPAC Name]
(2R,3S,6S)-6-Amino-4-(hydroxymethyl)-4-cyclohexene-1,2,3-triol [ACD/IUPAC Name]
(2R,3S,6S)-6-Amino-4-(hydroxyméthyl)-4-cyclohexène-1,2,3-triol [French] [ACD/IUPAC Name]
4-Cyclohexene-1,2,3-triol, 6-amino-4-(hydroxymethyl)-, (2R,3S,6S)- [ACD/Index Name]
2089591-37-5 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 377.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.3±6.0 kJ/mol
Flash Point: 182.0±27.9 °C
Index of Refraction: 1.649
Molar Refractivity: 41.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -1.60
ACD/LogD (pH 5.5): -4.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 90.6±3.0 dyne/cm
Molar Volume: 114.8±3.0 cm3

Click to predict properties on the Chemicalize site


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