ChemSpider 2D Image | (1R,2S,3R,4R,5S,6R)-4-Amino-6-methoxy-1,2,3,5-cyclohexanetetrol | C7H15NO5

(1R,2S,3R,4R,5S,6R)-4-Amino-6-methoxy-1,2,3,5-cyclohexanetetrol

  • Molecular FormulaC7H15NO5
  • Average mass193.198 Da
  • Monoisotopic mass193.095016 Da
  • ChemSpider ID61429071

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2S,3R,4R,5S,6R)-4-Amino-6-methoxy-1,2,3,5-cyclohexanetetrol [ACD/IUPAC Name]
(1R,2S,3R,4R,5S,6R)-4-Amino-6-méthoxy-1,2,3,5-cyclohexanetétrol [French] [ACD/IUPAC Name]
(1R,2S,3R,4R,5S,6R)-4-Amino-6-methoxy-1,2,3,5-cyclohexantetrol [German] [ACD/IUPAC Name]
1,2,3,5-Cyclohexanetetrol, 4-amino-6-methoxy-, (1R,2S,3R,4R,5S,6R)- [ACD/Index Name]
151062-28-1 [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: 357.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.8±6.0 kJ/mol
Flash Point: 170.0±27.9 °C
Index of Refraction: 1.588
Molar Refractivity: 43.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -4.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 78.2±5.0 dyne/cm
Molar Volume: 130.0±5.0 cm3

Click to predict properties on the Chemicalize site


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