ChemSpider 2D Image | 2-{4-[3-(5H-Dibenzo[b,f]azepin-5-yl)propyl]-1-piperazinyl}ethyl beta-D-glucopyranoside | C29H39N3O6

2-{4-[3-(5H-Dibenzo[b,f]azepin-5-yl)propyl]-1-piperazinyl}ethyl β-D-glucopyranoside

  • Molecular FormulaC29H39N3O6
  • Average mass525.636 Da
  • Monoisotopic mass525.283875 Da
  • ChemSpider ID35035984
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

2-{4-[3-(5H-Dibenzo[b,f]azepin-5-yl)propyl]-1-piperazinyl}ethyl β-D-glucopyranoside [ACD/IUPAC Name]
2-{4-[3-(5H-Dibenzo[b,f]azepin-5-yl)propyl]-1-piperazinyl}ethyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-{4-[3-(5h-Dibenzo[b,F]azepin-5-Yl)propyl]piperazin-1-Yl}ethyl β-D-Glucopyranoside
β-D-Glucopyranoside de 2-{4-[3-(5H-dibenzo[b,f]azépin-5-yl)propyl]-1-pipérazinyl}éthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-[4-[3-(5H-dibenz[b,f]azepin-5-yl)propyl]-1-piperazinyl]ethyl [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 736.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 399.4±32.9 °C
Index of Refraction: 1.676
Molar Refractivity: 145.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.27
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 1.71
ACD/KOC (pH 7.4): 40.59
Polar Surface Area: 109 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 74.1±5.0 dyne/cm
Molar Volume: 385.8±5.0 cm3

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