ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl (3xi)-2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-alpha-L-threo-pentopyranoside | C29H24O12

5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl (3ξ)-2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-α-L-threo-pentopyranoside

  • Molecular FormulaC29H24O12
  • Average mass564.494 Da
  • Monoisotopic mass564.126770 Da
  • ChemSpider ID24844624

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3ξ)-2-O-[(2E)-3-(4-Hydroxyphényl)-2-propenoyl]-α-L-thréo-pentopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[(3ξ)-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-α-L-threo-pentopyranosyl]oxy]- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl (3ξ)-2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-α-L-threo-pentopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-(3ξ)-2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-α-L-threo-pentopyranosid [German] [ACD/IUPAC 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: 889.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.4±3.0 kJ/mol
Flash Point: 297.2±27.8 °C
Index of Refraction: 1.755
Molar Refractivity: 138.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 42.89
ACD/KOC (pH 5.5): 475.62
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 1.40
ACD/KOC (pH 7.4): 15.51
Polar Surface Area: 192 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 102.6±5.0 dyne/cm
Molar Volume: 338.6±5.0 cm3

Click to predict properties on the Chemicalize site


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