ChemSpider 2D Image | 3-{[3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}-2-[(3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)amino]propanenitrile (non-preferred name) | C14H25N3O9

3-{[3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}-2-[(3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)amino]propanenitrile (non-preferred name)

  • Molecular FormulaC14H25N3O9
  • Average mass379.363 Da
  • Monoisotopic mass379.159088 Da
  • ChemSpider ID35014816

More details:






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

3-{[3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}-2-[(3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)amino]propanenitrile (non-preferred name) [ACD/IUPAC Name]
3-{[3,4,5-Trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]amino}-2-[(3,4,5-trihydroxytétrahydro-2H-pyran-2-yl)amino]propanenitrile (non-preferred name) [French] [ACD/IUPAC Name]
3-{[3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}-2-[(3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)amino]propannitril (non-preferred name) [German] [ACD/IUPAC Name]
2-(Arabinosylamino)-3-(glucosylamino)propanenitrile
3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}-2-[(3,4,5-trihydroxyoxan-2-yl)amino]propanenitrile

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

Density: 1.6±0.1 g/cm3
Boiling Point: 776.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.8±6.0 kJ/mol
Flash Point: 423.1±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 84.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.35
ACD/LogD (pH 5.5): -2.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.67
ACD/LogD (pH 7.4): -2.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.70
Polar Surface Area: 208 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 103.1±5.0 dyne/cm
Molar Volume: 231.3±5.0 cm3

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