ChemSpider 2D Image | 2-{[(2S,3R,4R,5S)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]amino}-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}propanenitrile | C14H25N3O9

2-{[(2S,3R,4R,5S)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]amino}-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}propanenitrile

  • Molecular FormulaC14H25N3O9
  • Average mass379.363 Da
  • Monoisotopic mass379.159088 Da
  • ChemSpider ID24723182
  • defined stereocentres - 9 of 10 defined stereocentres


More details:






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

2-{[(2S,3R,4R,5S)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]amino}-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}propanenitrile [ACD/IUPAC Name]
2-{[(2S,3R,4R,5S)-3,4-Dihydroxy-5-(hydroxyméthyl)tétrahydro-2-furanyl]amino}-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]amino}propanenitrile [French] [ACD/IUPAC Name]
2-{[(2S,3R,4R,5S)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]amino}-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}propannitril [German] [ACD/IUPAC Name]
1-(l-arabinosylamino)-2-(D-glucopyranosylamino)-cyanoethane
Ethane, 1-(L-arabinosylamino)-1-cyano-2-(D-glucopyranosylamino)
N-β-D-glucopyranosyl-N-α-L-arabinosyl-α,β-diaminopropionitrile

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

Density: 1.6±0.1 g/cm3
Boiling Point: 803.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.1±6.0 kJ/mol
Flash Point: 440.0±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 84.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.68
ACD/LogD (pH 5.5): -1.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.00
ACD/LogD (pH 7.4): -1.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.03
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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