ChemSpider 2D Image | 3-[4,7,10-Tris(2,2-dihydroxyvinyl)-1,4,7,10-tetraazacyclododecan-1-yl]-1,2,4-butanetriol | C18H34N4O9

3-[4,7,10-Tris(2,2-dihydroxyvinyl)-1,4,7,10-tetraazacyclododecan-1-yl]-1,2,4-butanetriol

  • Molecular FormulaC18H34N4O9
  • Average mass450.484 Da
  • Monoisotopic mass450.232574 Da
  • ChemSpider ID95675693

More details:

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

1,2,4-Butanetriol, 3-[4,7,10-tris(2,2-dihydroxyethenyl)-1,4,7,10-tetraazacyclododec-1-yl]- [ACD/Index Name]
3-[4,7,10-Tris(2,2-dihydroxyvinyl)-1,4,7,10-tetraazacyclododecan-1-yl]-1,2,4-butanetriol [ACD/IUPAC Name]
3-[4,7,10-Tris(2,2-dihydroxyvinyl)-1,4,7,10-tétraazacyclododécan-1-yl]-1,2,4-butanetriol [French] [ACD/IUPAC Name]
3-[4,7,10-Tris(2,2-dihydroxyvinyl)-1,4,7,10-tetraazacyclododecan-1-yl]-1,2,4-butantriol [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 731.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.8±6.0 kJ/mol
Flash Point: 432.6±31.5 °C
Index of Refraction: 1.765
Molar Refractivity: 116.3±0.3 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.07
ACD/LogD (pH 5.5): -3.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.18
Polar Surface Area: 195 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 118.3±3.0 dyne/cm
Molar Volume: 281.2±3.0 cm3

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