ChemSpider 2D Image | 2,5-Anhydro-6-[(cyclopropylcarbonyl)amino]-1,6-dideoxy-1-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-D-allitol | C19H20F3N3O6

2,5-Anhydro-6-[(cyclopropylcarbonyl)amino]-1,6-dideoxy-1-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-D-allitol

  • Molecular FormulaC19H20F3N3O6
  • Average mass443.374 Da
  • Monoisotopic mass443.130432 Da
  • ChemSpider ID21386990

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2,5-Anhydro-6-[(cyclopropylcarbonyl)amino]-1,6-dideoxy-1-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-D-allitol [ACD/IUPAC Name]
2,5-Anhydro-6-[(cyclopropylcarbonyl)amino]-1,6-didesoxy-1-{3-[4-(trifluormethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-D-allitol [German] [ACD/IUPAC Name]
2,5-Anhydro-6-[(cyclopropylcarbonyl)amino]-1,6-didésoxy-1-{3-[4-(trifluorométhoxy)phényl]-1,2,4-oxadiazol-5-yl}-D-allitol [French] [ACD/IUPAC Name]
D-Allitol, 2,5-anhydro-6-[(cyclopropylcarbonyl)amino]-1,6-dideoxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.570
Molar Refractivity: 97.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.57
ACD/KOC (pH 5.5): 133.86
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.57
ACD/KOC (pH 7.4): 133.86
Polar Surface Area: 127 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 296.3±3.0 cm3

Click to predict properties on the Chemicalize site


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