Found 1 result

Search term: 24844040 (Found by CSID)
ChemSpider 2D Image | 5-Hydroxy-6-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-threo-hexopyranosiduronic acid | C31H26O15

5-Hydroxy-6-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl β-D-threo-hexopyranosiduronic acid

  • Molecular FormulaC31H26O15
  • Average mass638.529 Da
  • Monoisotopic mass638.127197 Da
  • ChemSpider ID24844040

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 5 defined stereocentres

More details:

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

2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 7-(β-D-threo-hexopyranuronosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl ester, (2E)- [ACD/Index Name]
5-Hydroxy-6-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl β-D-threo-hexopyranosiduronic acid [ACD/IUPAC Name]
5-Hydroxy-6-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-β-D-threo-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-thréo-hexopyranosiduronique de 5-hydroxy-6-{[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]oxy}-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [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: 996.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.3±3.0 kJ/mol
Flash Point: 325.4±27.8 °C
Index of Refraction: 1.732
Molar Refractivity: 154.3±0.3 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.03
ACD/LogD (pH 5.5): -3.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 239 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 93.1±3.0 dyne/cm
Molar Volume: 385.8±3.0 cm3

Click to predict properties on the Chemicalize site


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