ChemSpider 2D Image | 2,3-Dihydroxy-4-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl 2-O-acetyl-6-O-[(2E)-3-phenyl-2-propenoyl]-beta-D-threo-hexopyranoside | C32H30O12

2,3-Dihydroxy-4-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl 2-O-acetyl-6-O-[(2E)-3-phenyl-2-propenoyl]-β-D-threo-hexopyranoside

  • Molecular FormulaC32H30O12
  • Average mass606.573 Da
  • Monoisotopic mass606.173706 Da
  • ChemSpider ID24845913

  • 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

2,3-Dihydroxy-4-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl 2-O-acetyl-6-O-[(2E)-3-phenyl-2-propenoyl]-β-D-threo-hexopyranoside [ACD/IUPAC Name]
2,3-Dihydroxy-4-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl-2-O-acetyl-6-O-[(2E)-3-phenyl-2-propenoyl]-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
2-O-Acétyl-6-O-[(2E)-3-phényl-2-propenoyl]-β-D-thréo-hexopyranoside de 2,3-dihydroxy-4-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]phényle [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[4-[[2-O-acetyl-6-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-β-D-threo-hexopyranosyl]oxy]-2,3-dihydroxyphenyl]-3-(4-hydroxyphenyl)-, (2E)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 867.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.1±3.0 kJ/mol
Flash Point: 280.8±27.8 °C
Index of Refraction: 1.680
Molar Refractivity: 153.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.62
ACD/KOC (pH 5.5): 934.84
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 26.85
ACD/KOC (pH 7.4): 249.50
Polar Surface Area: 189 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 81.9±5.0 dyne/cm
Molar Volume: 406.4±5.0 cm3

Click to predict properties on the Chemicalize site


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