ChemSpider 2D Image | Methyl 5-O-[(2E)-3-(4-{[(1R,2R)-1-(4-acetoxy-3-methoxyphenyl)-1,3-dihydroxy-2-propanyl]oxy}-3-methoxyphenyl)-2-propenoyl]-alpha-L-arabinofuranoside | C28H34O13

Methyl 5-O-[(2E)-3-(4-{[(1R,2R)-1-(4-acetoxy-3-methoxyphenyl)-1,3-dihydroxy-2-propanyl]oxy}-3-methoxyphenyl)-2-propenoyl]-α-L-arabinofuranoside

  • Molecular FormulaC28H34O13
  • Average mass578.562 Da
  • Monoisotopic mass578.199951 Da
  • ChemSpider ID8591232

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

5-O-[(2E)-3-(4-{[(1R,2R)-1-(4-Acétoxy-3-méthoxyphényl)-1,3-dihydroxy-2-propanyl]oxy}-3-méthoxyphényl)-2-propenoyl]-α-L-arabinofuranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 5-O-[(2E)-3-(4-{[(1R,2R)-1-(4-acetoxy-3-methoxyphenyl)-1,3-dihydroxy-2-propanyl]oxy}-3-methoxyphenyl)-2-propenoyl]-α-L-arabinofuranoside [ACD/IUPAC Name]
Methyl-5-O-[(2E)-3-(4-{[(1R,2R)-1-(4-acetoxy-3-methoxyphenyl)-1,3-dihydroxy-2-propanyl]oxy}-3-methoxyphenyl)-2-propenoyl]-α-L-arabinofuranosid [German] [ACD/IUPAC Name]
α-L-Arabinofuranoside, methyl 5-O-[(2E)-3-[4-[[(1R,2R)-2-[4-(acetyloxy)-3-methoxyphenyl]-2-hydroxy-1-(hydroxymethyl)ethyl]oxy]-3-methoxyphenyl]-1-oxo-2-propen-1-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 800.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.1±3.0 kJ/mol
Flash Point: 260.7±27.8 °C
Index of Refraction: 1.605
Molar Refractivity: 141.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 0.70
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.38
ACD/KOC (pH 5.5): 43.91
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 43.91
Polar Surface Area: 180 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 411.5±5.0 cm3

Click to predict properties on the Chemicalize site


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