ChemSpider 2D Image | 3-O-[(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-beta-D-tagatofuranosyl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-alpha-D-allopyranoside | C32H38O17

3-O-[(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-β-D-tagatofuranosyl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-α-D-allopyranoside

  • Molecular FormulaC32H38O17
  • Average mass694.634 Da
  • Monoisotopic mass694.210876 Da
  • ChemSpider ID10142326

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

3-O-[(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-β-D-tagatofuranosyl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-α-D-allopyranoside [ACD/IUPAC Name]
3-O-[(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-β-D-tagatofuranosyl-6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-α-D-allopyranosid [German] [ACD/IUPAC Name]
6-O-[(2E)-3-(4-Hydroxyphényl)-2-propenoyl]-α-D-allopyranoside de 3-O-[(2E)-3-(4-hydroxy-3,5-diméthoxyphényl)-2-propenoyl]-β-D-tagatofuranosyle [French] [ACD/IUPAC Name]
α-D-Allopyranoside, 3-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-tagatofuranosyl 6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
Glomeratose B

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

Density: 1.6±0.1 g/cm3
Boiling Point: 962.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.8±3.0 kJ/mol
Flash Point: 304.8±27.8 °C
Index of Refraction: 1.669
Molar Refractivity: 164.3±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.68
ACD/KOC (pH 5.5): 88.48
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.65
ACD/KOC (pH 7.4): 87.63
Polar Surface Area: 261 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 90.0±5.0 dyne/cm
Molar Volume: 440.5±5.0 cm3

Click to predict properties on the Chemicalize site


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