ChemSpider 2D Image | Jarsuroside C | C44H64O24

Jarsuroside C

  • Molecular FormulaC44H64O24
  • Average mass976.965 Da
  • Monoisotopic mass976.378723 Da
  • ChemSpider ID8757174

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(2S,3E,4S)-4-(2-{[(1S,2S,3S,5R)-5-(1,3-Dihydroxy-2-propanyl)-3-{2-[(2S,3E,4S)-3-éthylidène-2-(β-D-glucopyranosyloxy)-5-(méthoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acétoxy}-2-méthylcyclopentyl]métho xy}-2-oxoéthyl)-3-éthylidène-2-(β-D-glucopyranosyloxy)-3,4-dihydro-2H-pyrane-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
190896-95-8 [RN]
Jarsuroside C
Methyl-(2S,3E,4S)-4-(2-{[(1S,2S,3S,5R)-5-(1,3-dihydroxy-2-propanyl)-3-{2-[(2S,3E,4S)-3-ethyliden-2-(β-D-glucopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetoxy}-2-methylcyclopentyl ]methoxy}-2-oxoethyl)-3-ethyliden-2-(β-D-glucopyranosyloxy)-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

Click to predict properties on the Chemicalize site


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