ChemSpider 2D Image | 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl (2xi)-3-O-acetyl-beta-D-threo-pentopyranoside | C22H20O12

3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl (2ξ)-3-O-acetyl-β-D-threo-pentopyranoside

  • Molecular FormulaC22H20O12
  • Average mass476.387 Da
  • Monoisotopic mass476.095490 Da
  • ChemSpider ID24845680

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2ξ)-3-O-Acétyl-β-D-thréo-pentopyranoside de 3,5,7-trihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-8-yle [French] [ACD/IUPAC Name]
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl (2ξ)-3-O-acetyl-β-D-threo-pentopyranoside [ACD/IUPAC Name]
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl-(2ξ)-3-O-acetyl-β-D-threo-pentopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 8-[[(2ξ)-3-O-acetyl-β-D-threo-pentopyranosyl]oxy]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 781.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.2±3.0 kJ/mol
Flash Point: 273.3±26.4 °C
Index of Refraction: 1.741
Molar Refractivity: 109.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.40
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.30
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 109.3±5.0 dyne/cm
Molar Volume: 270.9±5.0 cm3

Click to predict properties on the Chemicalize site


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