ChemSpider 2D Image | Bis{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]methoxy}tetrahydro-2H-pyran-2-yl]methyl} (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,1 0,12,14-hexadecaheptaenedioate | C44H64O24

Bis{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]methoxy}tetrahydro-2H-pyran-2-yl]methyl} (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,1 0,12,14-hexadecaheptaenedioate

  • Molecular FormulaC44H64O24
  • Average mass976.965 Da
  • Monoisotopic mass976.378723 Da
  • ChemSpider ID7987541

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 18 of 20 defined stereocentres

More details:

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

(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-Tétraméthyl-2,4,6,8,10,12,14-hexadécaheptaènedioate de bis{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3S,4S,5R)-3,4,5,6-tétrahydroxytétrahydro-2H-pyran-2-yl]méthoxy }tétrahydro-2H-pyran-2-yl]méthyle} [French] [ACD/IUPAC Name]
Bis{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]methoxy}tetrahydro-2H-pyran-2-yl]methyl} (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,1 0,12,14-hexadecaheptaenedioate [ACD/IUPAC Name]
Bis{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]methoxy}tetrahydro-2H-pyran-2-yl]methyl}-(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,1 0,12,14-hexadecaheptaendioat [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: 1181.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 197.5±6.0 kJ/mol
Flash Point: 341.6±27.8 °C
Index of Refraction: 1.650
Molar Refractivity: 231.3±0.4 cm3
#H bond acceptors: 24
#H bond donors: 14
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 0.99
ACD/LogD (pH 5.5): -2.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 391 Å2
Polarizability: 91.7±0.5 10-24cm3
Surface Tension: 88.2±5.0 dyne/cm
Molar Volume: 634.3±5.0 cm3

Click to predict properties on the Chemicalize site


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