ChemSpider 2D Image | 1-[(3-Cyclohexylpropanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-allitol | C17H33NO7

1-[(3-Cyclohexylpropanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-allitol

  • Molecular FormulaC17H33NO7
  • Average mass363.446 Da
  • Monoisotopic mass363.225708 Da
  • ChemSpider ID25057886
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-[(3-Cyclohexylpropanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-allitol [ACD/IUPAC Name]
1-[(3-Cyclohexylpropanoyl)(2-hydroxyethyl)amino]-1-desoxy-D-allitol [German] [ACD/IUPAC Name]
1-[(3-Cyclohexylpropanoyl)(2-hydroxyéthyl)amino]-1-désoxy-D-allitol [French] [ACD/IUPAC Name]
D-Allitol, 1-[(3-cyclohexyl-1-oxopropyl)(2-hydroxyethyl)amino]-1-deoxy- [ACD/Index Name]
QGA

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 671.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 112.9±6.0 kJ/mol
Flash Point: 359.8±31.5 °C
Index of Refraction: 1.559
Molar Refractivity: 91.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: -0.66
ACD/LogD (pH 5.5): -1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.08
ACD/LogD (pH 7.4): -1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.08
Polar Surface Area: 142 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 283.5±3.0 cm3

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