ChemSpider 2D Image | 1,4-Diamino-1,4-dideoxy-L-iditol | C6H16N2O4

1,4-Diamino-1,4-dideoxy-L-iditol

  • Molecular FormulaC6H16N2O4
  • Average mass180.202 Da
  • Monoisotopic mass180.111008 Da
  • ChemSpider ID75227526

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,4-Diamino-1,4-dideoxy-L-iditol [ACD/IUPAC Name]
1,4-Diamino-1,4-didesoxy-L-iditol [German] [ACD/IUPAC Name]
1,4-Diamino-1,4-didésoxy-L-iditol [French] [ACD/IUPAC Name]
L-Iditol, 1,4-diamino-1,4-dideoxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 500.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.6±6.0 kJ/mol
Flash Point: 256.7±30.1 °C
Index of Refraction: 1.594
Molar Refractivity: 42.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.74
ACD/LogD (pH 5.5): -6.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 86.3±3.0 dyne/cm
Molar Volume: 126.5±3.0 cm3

Click to predict properties on the Chemicalize site


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