ChemSpider 2D Image | (1S,6R)-1,4:3,6-Dianhydro-2-deoxy-1-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-6-{[(3-pyridinylcarbamoyl)amino]methyl}-D-arabino-hexitol | C18H26N4O6

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

  • Molecular FormulaC18H26N4O6
  • Average mass394.422 Da
  • Monoisotopic mass394.185242 Da
  • ChemSpider ID65104869

  • 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-1-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-6-{[(3-pyridinylcarbamoyl)amino]methyl}-D-arabino-hexitol [ACD/IUPAC Name]
(1S,6R)-1,4:3,6-Dianhydro-2-desoxy-1-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-6-{[(3-pyridinylcarbamoyl)amino]methyl}-D-arabino-hexitol [German] [ACD/IUPAC Name]
(1S,6R)-1,4:3,6-Dianhydro-2-désoxy-1-{2-[(2-méthoxyéthyl)amino]-2-oxoéthyl}-6-{[(3-pyridinylcarbamoyl)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: 1.3±0.1 g/cm3
Boiling Point: 665.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 356.1±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 99.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -1.60
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.16
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.01
Polar Surface Area: 131 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 302.0±3.0 cm3

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