ChemSpider 2D Image | Methyl (3Z)-4-(2-{[5-(1,3-dihydroxy-2-propanyl)-3-{2-[(3Z)-3-ethylidene-2-(hexopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetoxy}-2-methylcyclopentyl]methoxy}-2-oxoethyl)-3-ethyliden e-2-(hexopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate | C44H64O24

Methyl (3Z)-4-(2-{[5-(1,3-dihydroxy-2-propanyl)-3-{2-[(3Z)-3-ethylidene-2-(hexopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetoxy}-2-methylcyclopentyl]methoxy}-2-oxoethyl)-3-ethyliden e-2-(hexopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate

  • Molecular FormulaC44H64O24
  • Average mass976.965 Da
  • Monoisotopic mass976.378723 Da
  • ChemSpider ID17325506

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-4-(2-{[5-(1,3-Dihydroxy-2-propanyl)-3-{2-[(3Z)-3-éthylidène-2-(hexopyranosyloxy)-5-(méthoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acétoxy}-2-méthylcyclopentyl]méthoxy}-2-oxoéthyl)-3-éthylidène-2-(he xopyranosyloxy)-3,4-dihydro-2H-pyrane-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-Pyran-4-acetic acid, 3-ethylidene-2-(hexopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-, [3-[[2-[(3Z)-3-ethylidene-2-(hexopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-yl]acetyl]oxy]-5-[ 2-hydroxy-1-(hydroxymethyl)ethyl]-2-methylcyclopentyl]methyl ester, (3Z)- [ACD/Index Name]
Methyl (3Z)-4-(2-{[5-(1,3-dihydroxy-2-propanyl)-3-{2-[(3Z)-3-ethylidene-2-(hexopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetoxy}-2-methylcyclopentyl]methoxy}-2-oxoethyl)-3-ethyliden e-2-(hexopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate [ACD/IUPAC Name]
Methyl-(3Z)-4-(2-{[5-(1,3-dihydroxy-2-propanyl)-3-{2-[(3Z)-3-ethyliden-2-(hexopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetoxy}-2-methylcyclopentyl]methoxy}-2-oxoethyl)-3-ethyliden- 2-(hexopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1075.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 178.4±6.0 kJ/mol
Flash Point: 309.6±27.8 °C
Index of Refraction: 1.614
Molar Refractivity: 227.1±0.4 cm3
#H bond acceptors: 24
#H bond donors: 10
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: -4.05
ACD/LogD (pH 5.5): -3.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 363 Å2
Polarizability: 90.0±0.5 10-24cm3
Surface Tension: 78.1±5.0 dyne/cm
Molar Volume: 651.4±5.0 cm3

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