ChemSpider 2D Image | (1S,6R)-1,4:3,6-Dianhydro-2-deoxy-6-{[(isopropylcarbamoyl)amino]methyl}-1-[2-oxo-2-(propylamino)ethyl]-D-arabino-hexitol | C16H29N3O5

(1S,6R)-1,4:3,6-Dianhydro-2-deoxy-6-{[(isopropylcarbamoyl)amino]methyl}-1-[2-oxo-2-(propylamino)ethyl]-D-arabino-hexitol

  • Molecular FormulaC16H29N3O5
  • Average mass343.419 Da
  • Monoisotopic mass343.210724 Da
  • ChemSpider ID65001685

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,6R)-1,4:3,6-Dianhydro-2-deoxy-6-{[(isopropylcarbamoyl)amino]methyl}-1-[2-oxo-2-(propylamino)ethyl]-D-arabino-hexitol [ACD/IUPAC Name]
(1S,6R)-1,4:3,6-Dianhydro-2-desoxy-6-{[(isopropylcarbamoyl)amino]methyl}-1-[2-oxo-2-(propylamino)ethyl]-D-arabino-hexitol [German] [ACD/IUPAC Name]
(1S,6R)-1,4:3,6-Dianhydro-2-désoxy-6-{[(isopropylcarbamoyl)amino]méthyl}-1-[2-oxo-2-(propylamino)éthyl]-D-arabino-hexitol [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 642.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.6±6.0 kJ/mol
Flash Point: 342.4±25.9 °C
Index of Refraction: 1.502
Molar Refractivity: 87.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.98
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.93
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.93
Polar Surface Area: 109 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 297.3±3.0 cm3

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