ChemSpider 2D Image | (1S,6R)-1,4:3,6-Dianhydro-6-{[(cyclobutylcarbamoyl)amino]methyl}-2-deoxy-1-[2-(4-morpholinyl)-2-oxoethyl]-D-arabino-hexitol | C18H29N3O6

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

  • Molecular FormulaC18H29N3O6
  • Average mass383.439 Da
  • Monoisotopic mass383.205627 Da
  • ChemSpider ID65104840

  • 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-6-{[(cyclobutylcarbamoyl)amino]methyl}-2-deoxy-1-[2-(4-morpholinyl)-2-oxoethyl]-D-arabino-hexitol [ACD/IUPAC Name]
(1S,6R)-1,4:3,6-Dianhydro-6-{[(cyclobutylcarbamoyl)amino]methyl}-2-desoxy-1-[2-(4-morpholinyl)-2-oxoethyl]-D-arabino-hexitol [German] [ACD/IUPAC Name]
(1S,6R)-1,4:3,6-Dianhydro-6-{[(cyclobutylcarbamoyl)amino]méthyl}-2-désoxy-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, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 702.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.6±6.0 kJ/mol
Flash Point: 378.8±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 95.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.17
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.95
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.95
Polar Surface Area: 109 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 284.5±5.0 cm3

Click to predict properties on the Chemicalize site


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