ChemSpider 2D Image | (2R,3S,4R,5S)-1,5-Diamino-2,3,4-octanetriol | C8H20N2O3

(2R,3S,4R,5S)-1,5-Diamino-2,3,4-octanetriol

  • Molecular FormulaC8H20N2O3
  • Average mass192.256 Da
  • Monoisotopic mass192.147400 Da
  • ChemSpider ID110571239

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3S,4R,5S)-1,5-Diamino-2,3,4-octanetriol [ACD/IUPAC Name]
(2R,3S,4R,5S)-1,5-Diamino-2,3,4-octanetriol [French] [ACD/IUPAC Name]
(2R,3S,4R,5S)-1,5-Diamino-2,3,4-octantriol [German] [ACD/IUPAC Name]
D-galacto-Octitol, 4,8-diamino-1,2,3,4,8-pentadeoxy- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 409.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.5±6.0 kJ/mol
Flash Point: 201.6±28.7 °C
Index of Refraction: 1.537
Molar Refractivity: 50.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.88
ACD/LogD (pH 5.5): -5.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 162.0±3.0 cm3

Click to predict properties on the Chemicalize site


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