ChemSpider 2D Image | (1S,6R)-1,4:3,6-Dianhydro-2-deoxy-6-{[(isopropylcarbamoyl)amino]methyl}-1-[2-(4-morpholinyl)-2-oxoethyl]-D-arabino-hexitol | C17H29N3O6

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

  • Molecular FormulaC17H29N3O6
  • Average mass371.429 Da
  • Monoisotopic mass371.205627 Da
  • ChemSpider ID65104846
  • 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-(4-morpholinyl)-2-oxoethyl]-D-arabino-hexitol [ACD/IUPAC Name]
(1S,6R)-1,4:3,6-Dianhydro-2-desoxy-6-{[(isopropylcarbamoyl)amino]methyl}-1-[2-(4-morpholinyl)-2-oxoethyl]-D-arabino-hexitol [German] [ACD/IUPAC Name]
(1S,6R)-1,4:3,6-Dianhydro-2-désoxy-6-{[(isopropylcarbamoyl)amino]méthyl}-1-[2-(4-morpholinyl)-2-oxoéthyl]-D-arabino-hexitol [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 666.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±6.0 kJ/mol
Flash Point: 356.6±31.5 °C
Index of Refraction: 1.524
Molar Refractivity: 91.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.22
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.49
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.49
Polar Surface Area: 109 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 300.1±3.0 cm3

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