ChemSpider 2D Image | Chrysomycin A | C28H28O9

Chrysomycin A

  • Molecular FormulaC28H28O9
  • Average mass508.517 Da
  • Monoisotopic mass508.173340 Da
  • ChemSpider ID73962314

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

2,6-Anhydro-1-deoxy-6-(1-hydroxy-10,12-dimethoxy-6-oxo-8-vinyl-6H-dibenzo[c,h]chromen-4-yl)-4-C-methyl-D-glucitol [ACD/IUPAC Name]
2,6-Anhydro-1-desoxy-6-(1-hydroxy-10,12-dimethoxy-6-oxo-8-vinyl-6H-dibenzo[c,h]chromen-4-yl)-4-C-methyl-D-glucitol [German] [ACD/IUPAC Name]
2,6-Anhydro-1-désoxy-6-(1-hydroxy-10,12-diméthoxy-6-oxo-8-vinyl-6H-dibenzo[c,h]chromén-4-yl)-4-C-méthyl-D-glucitol [French] [ACD/IUPAC Name]
82196-88-1 [RN]
Chrysomycin A
D-Glucitol, 2,6-anhydro-1-deoxy-6-C-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxo-6H-benzo[d]naphtho[1,2-b]pyran-4-yl)-4-C-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 799.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 269.6±26.4 °C
Index of Refraction: 1.679
Molar Refractivity: 136.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1294.49
ACD/KOC (pH 5.5): 5876.54
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1205.21
ACD/KOC (pH 7.4): 5471.25
Polar Surface Area: 135 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 361.7±3.0 cm3

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