ChemSpider 2D Image | 5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl (3xi)-3,5-di-O-acetyl-alpha-D-threo-pentofuranoside | C24H22O14

5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl (3ξ)-3,5-di-O-acetyl-α-D-threo-pentofuranoside

  • Molecular FormulaC24H22O14
  • Average mass534.423 Da
  • Monoisotopic mass534.100952 Da
  • ChemSpider ID24958738

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3ξ)-3,5-Di-O-acétyl-α-D-thréo-pentofuranoside de 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphényl)-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[(3ξ)-3,5-di-O-acetyl-α-D-threo-pentofuranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl (3ξ)-3,5-di-O-acetyl-α-D-threo-pentofuranoside [ACD/IUPAC Name]
5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl-(3ξ)-3,5-di-O-acetyl-α-D-threo-pentofuranosid [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 877.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.5±3.0 kJ/mol
Flash Point: 299.7±27.8 °C
Index of Refraction: 1.719
Molar Refractivity: 120.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 4.80
ACD/KOC (pH 5.5): 98.33
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.79
Polar Surface Area: 219 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 106.0±5.0 dyne/cm
Molar Volume: 305.4±5.0 cm3

Click to predict properties on the Chemicalize site


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