ChemSpider 2D Image | N-(1,3-Bis{[4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-2-propanyl)-4-[3-(trifluoromethyl)-3H-diaziren-3-yl]benzamide | C24H32F3N3O13

N-(1,3-Bis{[4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-2-propanyl)-4-[3-(trifluoromethyl)-3H-diaziren-3-yl]benzamide

  • Molecular FormulaC24H32F3N3O13
  • Average mass627.518 Da
  • Monoisotopic mass627.188721 Da
  • ChemSpider ID3795556

More details:

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

N-(1,3-Bis{[4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-2-propanyl)-4-[3-(trifluormethyl)-3H-diaziren-3-yl]benzamid [German] [ACD/IUPAC Name]
N-(1,3-Bis{[4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-2-propanyl)-4-[3-(trifluoromethyl)-3H-diaziren-3-yl]benzamide [ACD/IUPAC Name]
N-(1,3-Bis{[4,5,6-trihydroxy-2-(hydroxyméthyl)tétrahydro-2H-pyran-3-yl]oxy}-2-propanyl)-4-[3-(trifluorométhyl)-3H-diazirén-3-yl]benzamide [French] [ACD/IUPAC Name]
129461-18-3 [RN]
2-N-[4-(1-Azitrifluoroethyl)benzoyl]-1,3-bis-(D-mannos-4-yloxy)-2-propylamine

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 126.0±0.5 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.20
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.35
ACD/LogD (pH 7.4): -1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.35
Polar Surface Area: 253 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 69.6±7.0 dyne/cm
Molar Volume: 339.0±7.0 cm3

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