ChemSpider 2D Image | (1S,6R)-1,4:3,6-Dianhydro-2-deoxy-6-{[(isopropylcarbamoyl)amino]methyl}-1-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-D-arabino-hexitol | C16H29N3O6

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

  • Molecular FormulaC16H29N3O6
  • Average mass359.418 Da
  • Monoisotopic mass359.205627 Da
  • ChemSpider ID65104880

  • 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-[(2-methoxyethyl)amino]-2-oxoethyl}-D-arabino-hexitol [ACD/IUPAC Name]
(1S,6R)-1,4:3,6-Dianhydro-2-desoxy-6-{[(isopropylcarbamoyl)amino]methyl}-1-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-D-arabino-hexitol [German] [ACD/IUPAC Name]
(1S,6R)-1,4:3,6-Dianhydro-2-désoxy-6-{[(isopropylcarbamoyl)amino]méthyl}-1-{2-[(2-méthoxyéthyl)amino]-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: 1.2±0.1 g/cm3
Boiling Point: 660.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±6.0 kJ/mol
Flash Point: 353.4±28.7 °C
Index of Refraction: 1.501
Molar Refractivity: 89.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -1.88
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.68
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.68
Polar Surface Area: 118 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 303.6±3.0 cm3

Click to predict properties on the Chemicalize site


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