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

2,3-Dihydroxy-4-[(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 ID24845912

  • 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 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-threo-hexopyranoside [ACD/IUPAC Name]
2,3-Dihydroxy-4-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl-6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
2-Propen-1-one, 1-[2,3-dihydroxy-4-[[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]
6-O-[(2E)-3-(4-Hydroxyphényl)-2-propenoyl]-β-D-thréo-hexopyranoside de 2,3-dihydroxy-4-[(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: 915.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.4±3.0 kJ/mol
Flash Point: 301.4±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: 3.59
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 24.96
ACD/KOC (pH 5.5): 344.55
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 6.53
ACD/KOC (pH 7.4): 90.13
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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