ChemSpider 2D Image | 4-Amino-N-[(3beta,12beta,24R)-12,25-dihydroxy-20,24-epoxydammaran-3-yl]benzamide | C37H58N2O4

4-Amino-N-[(3β,12β,24R)-12,25-dihydroxy-20,24-epoxydammaran-3-yl]benzamide

  • Molecular FormulaC37H58N2O4
  • Average mass594.867 Da
  • Monoisotopic mass594.439636 Da
  • ChemSpider ID128435172

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

4-Amino-N-[(3β,12β,24R)-12,25-dihydroxy-20,24-epoxydammaran-3-yl]benzamid [German] [ACD/IUPAC Name]
4-Amino-N-[(3β,12β,24R)-12,25-dihydroxy-20,24-epoxydammaran-3-yl]benzamide [ACD/IUPAC Name]
4-Amino-N-[(3β,12β,24R)-12,25-dihydroxy-20,24-époxydammaran-3-yl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-amino-N-[(3β,12β,24R)-20,24-epoxy-12,25-dihydroxydammaran-3-yl]- [ACD/Index 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: 715.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 386.4±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 172.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 6.24
ACD/BCF (pH 5.5): 32229.82
ACD/KOC (pH 5.5): 58673.52
ACD/LogD (pH 7.4): 6.24
ACD/BCF (pH 7.4): 32269.34
ACD/KOC (pH 7.4): 58745.46
Polar Surface Area: 105 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 514.2±5.0 cm3

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