ChemSpider 2D Image | (2S,6R)-2-Methyl-6-{[(2S,3S,6S)-2-methyl-6-({(2S,3S,6S)-2-methyl-6-[(3,3,9-trimethyl-1,5-dioxaspiro[5.5]undec-9-yl)oxy]tetrahydro-2H-pyran-3-yl}oxy)tetrahydro-2H-pyran-3-yl]oxy}-2H-pyran-3(6H)-one | C30H48O9

(2S,6R)-2-Methyl-6-{[(2S,3S,6S)-2-methyl-6-({(2S,3S,6S)-2-methyl-6-[(3,3,9-trimethyl-1,5-dioxaspiro[5.5]undec-9-yl)oxy]tetrahydro-2H-pyran-3-yl}oxy)tetrahydro-2H-pyran-3-yl]oxy}-2H-pyran-3(6H)-one

  • Molecular FormulaC30H48O9
  • Average mass552.697 Da
  • Monoisotopic mass552.329834 Da
  • ChemSpider ID8730139

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2S,6R)-2-Methyl-6-{[(2S,3S,6S)-2-methyl-6-({(2S,3S,6S)-2-methyl-6-[(3,3,9-trimethyl-1,5-dioxaspiro[5.5]undec-9-yl)oxy]tetrahydro-2H-pyran-3-yl}oxy)tetrahydro-2H-pyran-3-yl]oxy}-2H-pyran-3(6H)-on [German] [ACD/IUPAC Name]
(2S,6R)-2-Methyl-6-{[(2S,3S,6S)-2-methyl-6-({(2S,3S,6S)-2-methyl-6-[(3,3,9-trimethyl-1,5-dioxaspiro[5.5]undec-9-yl)oxy]tetrahydro-2H-pyran-3-yl}oxy)tetrahydro-2H-pyran-3-yl]oxy}-2H-pyran-3(6H)-one [ACD/IUPAC Name]
(2S,6R)-2-Méthyl-6-{[(2S,3S,6S)-2-méthyl-6-({(2S,3S,6S)-2-méthyl-6-[(3,3,9-triméthyl-1,5-dioxaspiro[5.5]undéc-9-yl)oxy]tétrahydro-2H-pyran-3-yl}oxy)tétrahydro-2H-pyran-3-yl]oxy}-2H-pyran-3(6H)-one [French] [ACD/IUPAC Name]
2H-Pyran-3(6H)-one, 2-methyl-6-[[(2S,3S,6S)-tetrahydro-2-methyl-6-[[(2S,3S,6S)-tetrahydro-2-methyl-6-[(3,3,9-trimethyl-1,5-dioxaspiro[5.5]undec-9-yl)oxy]-2H-pyran-3-yl]oxy]-2H-pyran-3-yl]oxy]-, (2S,6R )- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 643.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 268.1±31.5 °C
Index of Refraction: 1.528
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 160.77
ACD/KOC (pH 5.5): 1320.71
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 160.77
ACD/KOC (pH 7.4): 1320.71
Polar Surface Area: 91 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 44.5±5.0 dyne/cm
Molar Volume: 469.4±5.0 cm3

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