ChemSpider 2D Image | N,N',N''-(2,6,10-Trihydroxy-1,5,9-trioxacyclododecane-3,7,11-triylidene)tris(2,3-dihydroxybenzamide) | C30H27N3O15

N,N',N''-(2,6,10-Trihydroxy-1,5,9-trioxacyclododecane-3,7,11-triylidene)tris(2,3-dihydroxybenzamide)

  • Molecular FormulaC30H27N3O15
  • Average mass669.547 Da
  • Monoisotopic mass669.144226 Da
  • ChemSpider ID95640185

More details:

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

Benzamide, N,N',N''-(2,6,10-trihydroxy-1,5,9-trioxacyclododecane-3,7,11-triylidene)tris[2,3-dihydroxy- [ACD/Index Name]
N,N',N''-(2,6,10-Trihydroxy-1,5,9-trioxacyclododecan-3,7,11-triyliden)tris(2,3-dihydroxybenzamid) [German] [ACD/IUPAC Name]
N,N',N''-(2,6,10-Trihydroxy-1,5,9-trioxacyclododecane-3,7,11-triylidene)tris(2,3-dihydroxybenzamide) [ACD/IUPAC Name]
N,N',N''-(2,6,10-Trihydroxy-1,5,9-trioxacyclododécane-3,7,11-triylidène)tris(2,3-dihydroxybenzamide) [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1100.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 169.4±3.0 kJ/mol
Flash Point: 619.6±37.1 °C
Index of Refraction: 1.695
Molar Refractivity: 154.2±0.5 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.75
ACD/KOC (pH 5.5): 105.93
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.36
ACD/KOC (pH 7.4): 75.04
Polar Surface Area: 298 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 74.5±7.0 dyne/cm
Molar Volume: 401.1±7.0 cm3

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