ChemSpider 2D Image | N,N',N''-[(2E,6E,10E)-2,6,10-Trihydroxy-1,5,9-trioxacyclododeca-2,6,10-triene-3,7,11-triyl]tris(2,3-dihydroxybenzamide) | C30H27N3O15

N,N',N''-[(2E,6E,10E)-2,6,10-Trihydroxy-1,5,9-trioxacyclododeca-2,6,10-triene-3,7,11-triyl]tris(2,3-dihydroxybenzamide)

  • Molecular FormulaC30H27N3O15
  • Average mass669.547 Da
  • Monoisotopic mass669.144226 Da
  • ChemSpider ID95608547

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzamide, N,N',N''-[(2E,6E,10E)-2,6,10-trihydroxy-1,5,9-trioxacyclododeca-2,6,10-triene-3,7,11-triyl]tris[2,3-dihydroxy- [ACD/Index Name]
N,N',N''-[(2E,6E,10E)-2,6,10-Trihydroxy-1,5,9-trioxacyclododeca-2,6,10-trien-3,7,11-triyl]tris(2,3-dihydroxybenzamid) [German] [ACD/IUPAC Name]
N,N',N''-[(2E,6E,10E)-2,6,10-Trihydroxy-1,5,9-trioxacyclododeca-2,6,10-triene-3,7,11-triyl]tris(2,3-dihydroxybenzamide) [ACD/IUPAC Name]
N,N',N''-[(2E,6E,10E)-2,6,10-Trihydroxy-1,5,9-trioxacyclododéca-2,6,10-triène-3,7,11-triyl]tris(2,3-dihydroxybenzamide) [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 1142.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 176.6±3.0 kJ/mol
Flash Point: 645.0±34.3 °C
Index of Refraction: 1.808
Molar Refractivity: 158.4±0.4 cm3
#H bond acceptors: 18
#H bond donors: 12
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.64
ACD/KOC (pH 5.5): 201.32
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 9.23
ACD/KOC (pH 7.4): 159.80
Polar Surface Area: 297 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 132.2±5.0 dyne/cm
Molar Volume: 367.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement