ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-threo-hexitol | C23H24O13

(1S)-1,5-Anhydro-1-[3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-threo-hexitol

  • Molecular FormulaC23H24O13
  • Average mass508.429 Da
  • Monoisotopic mass508.121704 Da
  • ChemSpider ID24845170

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-threo-hexitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-threo-hexitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[3,5,7-trihydroxy-2-(4-hydroxy-3,5-diméthoxyphényl)-4-oxo-4H-chromén-6-yl]-D-thréo-hexitol [French] [ACD/IUPAC Name]
D-threo-Hexitol, 1,5-anhydro-1-C-[3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-, (1S)- [ACD/Index Name]
MOGHANIN A

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

Density: 1.7±0.1 g/cm3
Boiling Point: 855.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.2±3.0 kJ/mol
Flash Point: 294.4±27.8 °C
Index of Refraction: 1.723
Molar Refractivity: 118.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 0.52
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.95
ACD/LogD (pH 7.4): -2.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 216 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 97.0±3.0 dyne/cm
Molar Volume: 299.3±3.0 cm3

Click to predict properties on the Chemicalize site


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