ChemSpider 2D Image | [(2R,3S)-5-[(1E)-3-(beta-D-Glucopyranosyloxy)-1-propen-1-yl]-7-methoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methyl acetate | C30H38O13

[(2R,3S)-5-[(1E)-3-(β-D-Glucopyranosyloxy)-1-propen-1-yl]-7-methoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methyl acetate

  • Molecular FormulaC30H38O13
  • Average mass606.615 Da
  • Monoisotopic mass606.231262 Da
  • ChemSpider ID8501796

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

[(2R,3S)-5-[(1E)-3-(β-D-Glucopyranosyloxy)-1-propen-1-yl]-7-methoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methyl acetate [ACD/IUPAC Name]
[(2R,3S)-5-[(1E)-3-(β-D-Glucopyranosyloxy)-1-propen-1-yl]-7-methoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methyl-acetat [German] [ACD/IUPAC Name]
Acétate de [(2R,3S)-5-[(1E)-3-(β-D-glucopyranosyloxy)-1-propén-1-yl]-7-méthoxy-2-(3,4,5-triméthoxyphényl)-2,3-dihydro-1-benzofuran-3-yl]méthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2E)-3-[(2R,3S)-3-[(acetyloxy)methyl]-2,3-dihydro-7-methoxy-2-(3,4,5-trimethoxyphenyl)-5-benzofuranyl]-2-propen-1-yl [ACD/Index Name]
[(2R,3S)-5-[(1E)-3-(β-D-glucopyranosyloxy)prop-1-en-1-yl]-7-methoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methyl acetate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL453722/
Woorenoside II

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

Density: 1.4±0.1 g/cm3
Boiling Point: 749.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 238.4±26.4 °C
Index of Refraction: 1.611
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 0.45
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.91
ACD/KOC (pH 5.5): 55.34
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.91
ACD/KOC (pH 7.4): 55.34
Polar Surface Area: 172 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 433.7±5.0 cm3

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