ChemSpider 2D Image | (2S,3R,4S,5S,6R)-5-Hydroxy-2-{[(2R,3R,4S,6S)-6-{[(2S,3S,4S,6S)-4-hydroxy-6-{[(2R,3R,4S,6S)-4-methoxy-6-{[(2R,3R,4R)-4-methoxy-2-methyl-6-oxotetrahydro-2H-pyran-3-yl]oxy}-2-methyltetrahydro-2H-pyran-3- yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-methoxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-methoxy-6-methyltetrahydro-2H-pyran-3-yl acetate (non-preferred name) | C36H60O18

(2S,3R,4S,5S,6R)-5-Hydroxy-2-{[(2R,3R,4S,6S)-6-{[(2S,3S,4S,6S)-4-hydroxy-6-{[(2R,3R,4S,6S)-4-methoxy-6-{[(2R,3R,4R)-4-methoxy-2-methyl-6-oxotetrahydro-2H-pyran-3-yl]oxy}-2-methyltetrahydro-2H-pyran-3- yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-methoxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-methoxy-6-methyltetrahydro-2H-pyran-3-yl acetate (non-preferred name)

  • Molecular FormulaC36H60O18
  • Average mass780.851 Da
  • Monoisotopic mass780.377991 Da
  • ChemSpider ID82963997

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

(2S,3R,4S,5S,6R)-5-Hydroxy-2-{[(2R,3R,4S,6S)-6-{[(2S,3S,4S,6S)-4-hydroxy-6-{[(2R,3R,4S,6S)-4-methoxy-6-{[(2R,3R,4R)-4-methoxy-2-methyl-6-oxotetrahydro-2H-pyran-3-yl]oxy}-2-methyltetrahydro-2H-pyran-3- yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-methoxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-methoxy-6-methyltetrahydro-2H-pyran-3-yl acetate (non-preferred name) [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-5-Hydroxy-2-{[(2R,3R,4S,6S)-6-{[(2S,3S,4S,6S)-4-hydroxy-6-{[(2R,3R,4S,6S)-4-methoxy-6-{[(2R,3R,4R)-4-methoxy-2-methyl-6-oxotetrahydro-2H-pyran-3-yl]oxy}-2-methyltetrahydro-2H-pyran-3- yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-methoxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-methoxy-6-methyltetrahydro-2H-pyran-3-yl-acetat (non-preferred name) [German] [ACD/IUPAC Name]
Acétate de (2S,3R,4S,5S,6R)-5-hydroxy-2-{[(2R,3R,4S,6S)-6-{[(2S,3S,4S,6S)-4-hydroxy-6-{[(2R,3R,4S,6S)-4-méthoxy-6-{[(2R,3R,4R)-4-méthoxy-2-méthyl-6-oxotétrahydro-2H-pyran-3-yl]oxy}-2-méthyltétrahydro- 2H-pyran-3-yl]oxy}-2-méthyltétrahydro-2H-pyran-3-yl]oxy}-4-méthoxy-2-méthyltétrahydro-2H-pyran-3-yl]oxy}-4-méthoxy-6-méthyltétrahydro-2H-pyran-3-yle (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 832.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.6±6.0 kJ/mol
Flash Point: 246.7±27.8 °C
Index of Refraction: 1.526
Molar Refractivity: 185.8±0.4 cm3
#H bond acceptors: 18
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.76
ACD/KOC (pH 5.5): 136.61
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 6.76
ACD/KOC (pH 7.4): 136.61
Polar Surface Area: 204 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 604.8±5.0 cm3

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