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

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

  • Molecular FormulaC17H29N3O6
  • Average mass371.429 Da
  • Monoisotopic mass371.205627 Da
  • ChemSpider ID65104871
  • 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-[(2-methoxyethyl)amino]-2-oxoethyl}-D-arabino-hexitol [ACD/IUPAC Name]
(1S,6R)-1,4:3,6-Dianhydro-6-{[(cyclobutylcarbamoyl)amino]methyl}-2-desoxy-1-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-D-arabino-hexitol [German] [ACD/IUPAC Name]
(1S,6R)-1,4:3,6-Dianhydro-6-{[(cyclobutylcarbamoyl)amino]méthyl}-2-désoxy-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

Density: 1.3±0.1 g/cm3
Boiling Point: 697.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.8±6.0 kJ/mol
Flash Point: 375.8±28.7 °C
Index of Refraction: 1.554
Molar Refractivity: 92.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -1.83
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.02
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.02
Polar Surface Area: 118 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 288.3±5.0 cm3

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