ChemSpider 2D Image | 1,4-Anhydro-3,5-dideoxy-3-[(isopropylcarbamoyl)amino]-5-[4-(4-morpholinylmethyl)-1H-1,2,3-triazol-1-yl]-D-xylitol | C16H28N6O4

1,4-Anhydro-3,5-dideoxy-3-[(isopropylcarbamoyl)amino]-5-[4-(4-morpholinylmethyl)-1H-1,2,3-triazol-1-yl]-D-xylitol

  • Molecular FormulaC16H28N6O4
  • Average mass368.431 Da
  • Monoisotopic mass368.217194 Da
  • ChemSpider ID71298977

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1,4-Anhydro-3,5-dideoxy-3-[(isopropylcarbamoyl)amino]-5-[4-(4-morpholinylmethyl)-1H-1,2,3-triazol-1-yl]-D-xylitol [ACD/IUPAC Name]
1,4-Anhydro-3,5-didesoxy-3-[(isopropylcarbamoyl)amino]-5-[4-(4-morpholinylmethyl)-1H-1,2,3-triazol-1-yl]-D-xylitol [German] [ACD/IUPAC Name]
1,4-Anhydro-3,5-didésoxy-3-[(isopropylcarbamoyl)amino]-5-[4-(4-morpholinylméthyl)-1H-1,2,3-triazol-1-yl]-D-xylitol [French] [ACD/IUPAC Name]
D-Xylitol, 1,4-anhydro-3,5-dideoxy-3-[[[(1-methylethyl)amino]carbonyl]amino]-5-[4-(4-morpholinylmethyl)-1H-1,2,3-triazol-1-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: 1.663
Molar Refractivity: 92.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -2.33
ACD/LogD (pH 5.5): -1.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.89
ACD/LogD (pH 7.4): -1.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.78
Polar Surface Area: 114 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 250.8±7.0 cm3

Click to predict properties on the Chemicalize site


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