ChemSpider 2D Image | N,N',N''-[(3S,7S,11S)-2,6,10-Trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,5-dihydroxybenzamide) | C30H27N3O15

N,N',N''-[(3S,7S,11S)-2,6,10-Trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,5-dihydroxybenzamide)

  • Molecular FormulaC30H27N3O15
  • Average mass669.547 Da
  • Monoisotopic mass669.144226 Da
  • ChemSpider ID9789232

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzamide, N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,5-dihydroxy- [ACD/Index Name]
N,N',N''-[(3S,7S,11S)-2,6,10-Trioxo-1,5,9-trioxacyclododecan-3,7,11-triyl]tris(2,5-dihydroxybenzamid) [German] [ACD/IUPAC Name]
N,N',N''-[(3S,7S,11S)-2,6,10-Trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,5-dihydroxybenzamide) [ACD/IUPAC Name]
N,N',N''-[(3S,7S,11S)-2,6,10-Trioxo-1,5,9-trioxacyclododécane-3,7,11-triyl]tris(2,5-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: 1178.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 180.4±3.0 kJ/mol
Flash Point: 666.3±34.3 °C
Index of Refraction: 1.732
Molar Refractivity: 155.7±0.4 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.82
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.00
Polar Surface Area: 288 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 111.6±5.0 dyne/cm
Molar Volume: 389.1±5.0 cm3

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