ChemSpider 2D Image | {5-Acetoxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-[(3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)methoxy]tetrahydro-2H-pyran-2-yl}methyl (2E)-3-(3,4-dihydroxyphenyl)acrylate (non-preferred name) | C32H40O16

{5-Acetoxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-[(3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)methoxy]tetrahydro-2H-pyran-2-yl}methyl (2E)-3-(3,4-dihydroxyphenyl)acrylate (non-preferred name)

  • Molecular FormulaC32H40O16
  • Average mass680.650 Da
  • Monoisotopic mass680.231628 Da
  • ChemSpider ID24644528

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2E)-3-(3,4-Dihydroxyphényl)acrylate de {5-acétoxy-6-[2-(3,4-dihydroxyphényl)éthoxy]-3-hydroxy-4-[(3,4,5-trihydroxy-6-méthyltétrahydro-2H-pyran-2-yl)méthoxy]tétrahydro-2H-pyran-2-yl}méthyle (non-prefe rred name) [French] [ACD/IUPAC Name]
{5-Acetoxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-[(3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)methoxy]tetrahydro-2H-pyran-2-yl}methyl (2E)-3-(3,4-dihydroxyphenyl)acrylate (non-preferred name) [ACD/IUPAC Name]
{5-Acetoxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-[(3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)methoxy]tetrahydro-2H-pyran-2-yl}methyl-(2E)-3-(3,4-dihydroxyphenyl)acrylat (non-preferred name) [German] [ACD/IUPAC Name]
tubuloside B

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

Density: 1.5±0.1 g/cm3
Boiling Point: 931.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.9±3.0 kJ/mol
Flash Point: 294.7±27.8 °C
Index of Refraction: 1.657
Molar Refractivity: 162.6±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.35
ACD/KOC (pH 5.5): 115.62
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.21
ACD/KOC (pH 7.4): 112.62
Polar Surface Area: 251 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 86.5±5.0 dyne/cm
Molar Volume: 442.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement