ChemSpider 2D Image | (1R,2S,3R,5R,6R)-8-Azabicyclo[3.2.1]octane-1,2,3,6-tetrol | C7H13NO4

(1R,2S,3R,5R,6R)-8-Azabicyclo[3.2.1]octane-1,2,3,6-tetrol

  • Molecular FormulaC7H13NO4
  • Average mass175.182 Da
  • Monoisotopic mass175.084457 Da
  • ChemSpider ID24534274
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(1R,2S,3R,5R,6R)-8-Azabicyclo[3.2.1]octan-1,2,3,6-tetrol [German] [ACD/IUPAC Name]
(1R,2S,3R,5R,6R)-8-Azabicyclo[3.2.1]octane-1,2,3,6-tetrol [ACD/IUPAC Name]
(1R,2S,3R,5R,6R)-8-Azabicyclo[3.2.1]octane-1,2,3,6-tétrol [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-1,2,3,6-tetrol, (1R,2S,3R,5R,6R)- [ACD/Index Name]
Calystegine B1

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

Density: 1.7±0.1 g/cm3
Boiling Point: 379.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.6±6.0 kJ/mol
Flash Point: 207.1±18.5 °C
Index of Refraction: 1.715
Molar Refractivity: 39.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -1.72
ACD/LogD (pH 5.5): -3.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.64
Polar Surface Area: 93 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 88.4±3.0 dyne/cm
Molar Volume: 101.7±3.0 cm3

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