ChemSpider 2D Image | (2S)-5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]hexopyranoside | C30H28O12

(2S)-5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]hexopyranoside

  • Molecular FormulaC30H28O12
  • Average mass580.536 Da
  • Monoisotopic mass580.158081 Da
  • ChemSpider ID22905586

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 6 defined stereocentres

More details:

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

(2S)-5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]hexopyranoside [ACD/IUPAC Name]
(2S)-5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl-2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]hexopyranosid [German] [ACD/IUPAC Name]
2-O-[(2E)-3-(4-Hydroxyphényl)-2-propenoyl]hexopyranoside de (2S)-5-hydroxy-2-(4-hydroxyphényl)-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-[[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]hexopyranosyl]oxy]-, (2S)- [ACD/Index Name]
2-[(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochroman-7-yloxy]-4,5-dihydroxy-6-(hydroxymethyl)-2H-3,4,5,6-tetrahydropyran-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 912.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.0±3.0 kJ/mol
Flash Point: 301.7±27.8 °C
Index of Refraction: 1.723
Molar Refractivity: 143.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.08
ACD/KOC (pH 5.5): 873.72
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 32.94
ACD/KOC (pH 7.4): 315.98
Polar Surface Area: 192 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 95.2±5.0 dyne/cm
Molar Volume: 362.8±5.0 cm3

Click to predict properties on the Chemicalize site


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