Found 1 result

Search term: SAFSJTHXJQHMJJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3,4-Diamino-3,4-dideoxy-D-iditol | C6H16N2O4

3,4-Diamino-3,4-dideoxy-D-iditol

  • Molecular FormulaC6H16N2O4
  • Average mass180.202 Da
  • Monoisotopic mass180.111008 Da
  • ChemSpider ID75150127

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3,4-Diamino-3,4-dideoxy-D-iditol [ACD/IUPAC Name]
3,4-Diamino-3,4-didesoxy-D-iditol [German] [ACD/IUPAC Name]
3,4-Diamino-3,4-didésoxy-D-iditol [French] [ACD/IUPAC Name]
D-Iditol, 3,4-diamino-3,4-dideoxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 499.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.4±6.0 kJ/mol
Flash Point: 255.6±28.7 °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: -3.44
ACD/LogD (pH 5.5): -6.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.61
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


Advertisement