ChemSpider 2D Image | (1S,6R)-1,4:3,6-Dianhydro-1-[2-(cyclopropylamino)-2-oxoethyl]-2-deoxy-6-{[(4-morpholinylcarbonyl)amino]methyl}-D-arabino-hexitol | C17H27N3O6

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

  • Molecular FormulaC17H27N3O6
  • Average mass369.413 Da
  • Monoisotopic mass369.189972 Da
  • ChemSpider ID65001662

  • 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-1-[2-(cyclopropylamino)-2-oxoethyl]-2-deoxy-6-{[(4-morpholinylcarbonyl)amino]methyl}-D-arabino-hexitol [ACD/IUPAC Name]
(1S,6R)-1,4:3,6-Dianhydro-1-[2-(cyclopropylamino)-2-oxoethyl]-2-desoxy-6-{[(4-morpholinylcarbonyl)amino]methyl}-D-arabino-hexitol [German] [ACD/IUPAC Name]
(1S,6R)-1,4:3,6-Dianhydro-1-[2-(cyclopropylamino)-2-oxoéthyl]-2-désoxy-6-{[(4-morpholinylcarbonyl)amino]méthyl}-D-arabino-hexitol [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 739.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.2±6.0 kJ/mol
Flash Point: 401.2±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 90.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -2.28
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.25
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.25
Polar Surface Area: 109 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 268.4±5.0 cm3

Click to predict properties on the Chemicalize site


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