ChemSpider 2D Image | Bis[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl] 1,6-phenazinedicarboxylate | C26H28N2O12

Bis[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl] 1,6-phenazinedicarboxylate

  • Molecular FormulaC26H28N2O12
  • Average mass560.507 Da
  • Monoisotopic mass560.164246 Da
  • ChemSpider ID29417777

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

1,6-Phénazinedicarboxylate de bis[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-méthyltétrahydro-2H-pyran-2-yle] [French] [ACD/IUPAC Name]
Bis[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl] 1,6-phenazinedicarboxylate [ACD/IUPAC Name]
Bis[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]-1,6-phenazindicarboxylat [German] [ACD/IUPAC Name]
Solphenazine A

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

Density: 1.6±0.1 g/cm3
Boiling Point: 833.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.9±3.0 kJ/mol
Flash Point: 457.6±34.3 °C
Index of Refraction: 1.720
Molar Refractivity: 134.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 0.42
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.17
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.17
Polar Surface Area: 218 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 100.7±5.0 dyne/cm
Molar Volume: 340.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement