ChemSpider 2D Image | 1-(4-{[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3,4,5,6-tetramethyl-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxy-2,4,5,6,6-pentamethyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-2,6-dihyd roxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-1-propanone | C36H52O15

1-(4-{[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3,4,5,6-tetramethyl-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxy-2,4,5,6,6-pentamethyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-2,6-dihyd roxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-1-propanone

  • Molecular FormulaC36H52O15
  • Average mass724.789 Da
  • Monoisotopic mass724.330627 Da
  • ChemSpider ID25028110

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

1-(4-{[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3,4,5,6-tetramethyl-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxy-2,4,5,6,6-pentamethyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-2,6-dihyd roxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-1-propanon [German] [ACD/IUPAC Name]
1-(4-{[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3,4,5,6-tetramethyl-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxy-2,4,5,6,6-pentamethyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-2,6-dihyd roxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-1-propanone [ACD/IUPAC Name]
1-(4-{[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxyméthyl)-3,4,5,6-tétraméthyl-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxy-2,4,5,6,6-pentaméthyltétrahydro-2H-pyran-2-yl]oxy}tétrahydro-2H-pyran-2-yl]oxy}-2,6-dihyd roxyphényl)-3-(3-hydroxy-4-méthoxyphényl)-1-propanone [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 876.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.5±3.0 kJ/mol
Flash Point: 266.6±27.8 °C
Index of Refraction: 1.636
Molar Refractivity: 181.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 4
ACD/LogP: 7.58
ACD/LogD (pH 5.5): 7.57
ACD/BCF (pH 5.5): 333836.13
ACD/KOC (pH 5.5): 310680.41
ACD/LogD (pH 7.4): 7.09
ACD/BCF (pH 7.4): 108341.25
ACD/KOC (pH 7.4): 100826.42
Polar Surface Area: 245 Å2
Polarizability: 71.8±0.5 10-24cm3
Surface Tension: 77.1±5.0 dyne/cm
Molar Volume: 505.3±5.0 cm3

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