ChemSpider 2D Image | RACEMOSININE B | C35H32N2O6

RACEMOSININE B

  • Molecular FormulaC35H32N2O6
  • Average mass576.638 Da
  • Monoisotopic mass576.226013 Da
  • ChemSpider ID25046144

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1236805-09-6 [RN]
6,6'-Dimethoxy-2'-methyl-1,2,3,4-tetradehydrooxyacanthan-7,12'-diol [German] [ACD/IUPAC Name]
6,6'-Dimethoxy-2'-methyl-1,2,3,4-tetradehydrooxyacanthan-7,12'-diol [ACD/IUPAC Name]
6,6'-Diméthoxy-2'-méthyl-1,2,3,4-tétradéhydrooxyacanthan-7,12'-diol [French] [ACD/IUPAC Name]
RACEMOSININE B

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

ZQ5WI8AP9O [DBID]
UNII:ZQ5WI8AP9O [DBID]
UNII-ZQ5WI8AP9O [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 740.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 401.4±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 164.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 3.52
ACD/KOC (pH 5.5): 15.15
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 393.60
ACD/KOC (pH 7.4): 1692.78
Polar Surface Area: 94 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 446.9±3.0 cm3

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