ChemSpider 2D Image | 3,5-Dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-threo-hexopyranoside | C30H28O12

3,5-Dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-threo-hexopyranoside

  • Molecular FormulaC30H28O12
  • Average mass580.536 Da
  • Monoisotopic mass580.158081 Da
  • ChemSpider ID24845973

  • 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-Propen-1-one, 1-[2,4-dihydroxy-6-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-threo-hexopyranosyl]oxy]phenyl]-3-(4-hydroxyphenyl)-, (2E)- [ACD/Index Name]
3,5-Dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-threo-hexopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl-6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
6-O-[(2E)-3-(4-Hydroxyphényl)-2-propenoyl]-β-D-thréo-hexopyranoside de 3,5-dihydroxy-2-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]phényle [French] [ACD/IUPAC 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: 902.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.5±3.0 kJ/mol
Flash Point: 297.1±27.8 °C
Index of Refraction: 1.728
Molar Refractivity: 150.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.29
ACD/KOC (pH 5.5): 355.51
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 4.42
ACD/KOC (pH 7.4): 59.83
Polar Surface Area: 203 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 78.6±3.0 dyne/cm
Molar Volume: 378.5±3.0 cm3

Click to predict properties on the Chemicalize site


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