ChemSpider 2D Image | 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl (2xi)-2,3-di-O-acetyl-beta-D-threo-pentopyranoside | C24H22O13

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

  • Molecular FormulaC24H22O13
  • Average mass518.424 Da
  • Monoisotopic mass518.106018 Da
  • ChemSpider ID24845681

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2ξ)-2,3-Di-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)-2,3-di-O-acetyl-β-D-threo-pentopyranoside [ACD/IUPAC Name]
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl-(2ξ)-2,3-di-O-acetyl-β-D-threo-pentopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 8-[[(2ξ)-2,3-di-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: 1.7±0.1 g/cm3
Boiling Point: 770.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 263.5±26.4 °C
Index of Refraction: 1.698
Molar Refractivity: 119.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.35
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.66
ACD/KOC (pH 5.5): 43.57
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 95.5±5.0 dyne/cm
Molar Volume: 308.6±5.0 cm3

Click to predict properties on the Chemicalize site


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