ChemSpider 2D Image | (1R,2S,3R,4R,5R)-4-(Hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol | C8H15NO4

(1R,2S,3R,4R,5R)-4-(Hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol

  • Molecular FormulaC8H15NO4
  • Average mass189.209 Da
  • Monoisotopic mass189.100113 Da
  • ChemSpider ID25947498

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2S,3R,4R,5R)-4-(Hydroxymethyl)-8-azabicyclo[3.2.1]octan-1,2,3-triol [German] [ACD/IUPAC Name]
(1R,2S,3R,4R,5R)-4-(Hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol [ACD/IUPAC Name]
(1R,2S,3R,4R,5R)-4-(Hydroxyméthyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-1,2,3-triol, 4-(hydroxymethyl)-, (1R,2S,3R,4R,5R)- [ACD/Index Name]
1208230-61-8 [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: 372.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.7±6.0 kJ/mol
Flash Point: 186.1±18.5 °C
Index of Refraction: 1.643
Molar Refractivity: 44.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -1.66
ACD/LogD (pH 5.5): -3.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 77.8±3.0 dyne/cm
Molar Volume: 123.3±3.0 cm3

Click to predict properties on the Chemicalize site


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