Hydroxymethylbilane C40H46N4O17 structure

C40H46N4O17 structure
Molecular Formula C40H46N4O17
Average mass 854.810 Da
Density 1.6±0.1 g/cm3
Boiling Point 1135.6±60.0 °C at 760 mmHg
Flash Point 640.6±32.9 °C
Molar Refractivity 205.8±0.3 cm3
Polarizability 81.6±0.5 10-24cm3
Surface Tension 93.2±3.0 dyne/cm
Molar Volume 540.3±3.0 cm3

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 1135.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 175.3±3.0 kJ/mol
Flash Point: 640.6±32.9 °C
Index of Refraction: 1.687
Molar Refractivity: 205.8±0.3 cm3
#H bond acceptors: 21
#H bond donors: 13
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: -2.91
ACD/LogD (pH 5.5): -8.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 382 Å2
Polarizability: 81.6±0.5 10-24cm3
Surface Tension: 93.2±3.0 dyne/cm
Molar Volume: 540.3±3.0 cm3

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