ChemSpider 2D Image | 3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl (3xi)-6-deoxy-alpha-L-arabino-hexopyranoside | C21H20O11

3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl (3ξ)-6-deoxy-α-L-arabino-hexopyranoside

  • Molecular FormulaC21H20O11
  • Average mass448.377 Da
  • Monoisotopic mass448.100555 Da
  • ChemSpider ID65791463

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3ξ)-6-Désoxy-α-L-arabino-hexopyranoside de 3,5,8-trihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl (3ξ)-6-deoxy-α-L-arabino-hexopyranoside [ACD/IUPAC Name]
3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-(3ξ)-6-desoxy-α-L-arabino-hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[(3ξ)-6-deoxy-α-L-arabino-hexopyranosyl]oxy]-3,5,8-trihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
Rhodionin [Wiki]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 802.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.4±3.0 kJ/mol
Flash Point: 284.4±27.8 °C
Index of Refraction: 1.755
Molar Refractivity: 105.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.89
ACD/LogD (pH 7.4): -0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.87
Polar Surface Area: 186 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 104.7±3.0 dyne/cm
Molar Volume: 258.0±3.0 cm3

Click to predict properties on the Chemicalize site


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