ChemSpider 2D Image | Methyl 1-(hexopyranosyloxy)-4'-[1-({(2E)-3-[4-(hexopyranosyloxy)phenyl]-2-propenoyl}oxy)ethyl]-5'-oxo-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate | C36H42O19

Methyl 1-(hexopyranosyloxy)-4'-[1-({(2E)-3-[4-(hexopyranosyloxy)phenyl]-2-propenoyl}oxy)ethyl]-5'-oxo-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate

  • Molecular FormulaC36H42O19
  • Average mass778.707 Da
  • Monoisotopic mass778.232056 Da
  • ChemSpider ID4726254

  • Double-bond stereo - Double-bond stereo

More details:

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

Methyl 1-(hexopyranosyloxy)-4'-[1-({(2E)-3-[4-(hexopyranosyloxy)phenyl]-2-propenoyl}oxy)ethyl]-5'-oxo-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate [ACD/IUPAC Name]
Spiro[cyclopenta[c]pyran-7(1H),2'(5'H)-furan]-4-carboxylic acid, 1-(hexopyranosyloxy)-4'-[1-[[(2E)-3-[4-(hexopyranosyloxy)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-4a,7a-dihydro-5'-oxo-, methyl ester [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1040.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.4±3.0 kJ/mol
Flash Point: 322.5±27.8 °C
Index of Refraction: 1.677
Molar Refractivity: 180.9±0.4 cm3
#H bond acceptors: 19
#H bond donors: 8
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -4.76
ACD/LogD (pH 5.5): -3.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 287 Å2
Polarizability: 71.7±0.5 10-24cm3
Surface Tension: 90.6±5.0 dyne/cm
Molar Volume: 480.2±5.0 cm3

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