ChemSpider 2D Image | (2S,3S,5R,6S,8R,9R,10S,11S)-8,10-Dihydroxy-2-[(2R)-3-hydroxy-2-pentanyl]-3,5,9,11-tetramethyl-8-[1-(3,5,6-trimethyl-4-oxo-4H-pyran-2-yl)ethyl]-1,7-dioxaspiro[5.5]undecan-4-one | C28H44O8

(2S,3S,5R,6S,8R,9R,10S,11S)-8,10-Dihydroxy-2-[(2R)-3-hydroxy-2-pentanyl]-3,5,9,11-tetramethyl-8-[1-(3,5,6-trimethyl-4-oxo-4H-pyran-2-yl)ethyl]-1,7-dioxaspiro[5.5]undecan-4-one

  • Molecular FormulaC28H44O8
  • Average mass508.644 Da
  • Monoisotopic mass508.303619 Da
  • ChemSpider ID153768

  • defined stereocentres - 9 of 11 defined stereocentres

More details:

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

(2S,3S,5R,6S,8R,9R,10S,11S)-8,10-Dihydroxy-2-[(2R)-3-hydroxy-2-pentanyl]-3,5,9,11-tetramethyl-8-[1-(3,5,6-trimethyl-4-oxo-4H-pyran-2-yl)ethyl]-1,7-dioxaspiro[5.5]undecan-4-on [German] [ACD/IUPAC Name]
(2S,3S,5R,6S,8R,9R,10S,11S)-8,10-Dihydroxy-2-[(2R)-3-hydroxy-2-pentanyl]-3,5,9,11-tetramethyl-8-[1-(3,5,6-trimethyl-4-oxo-4H-pyran-2-yl)ethyl]-1,7-dioxaspiro[5.5]undecan-4-one [ACD/IUPAC Name]
(2S,3S,5R,6S,8R,9R,10S,11S)-8,10-Dihydroxy-2-[(2R)-3-hydroxy-2-pentanyl]-3,5,9,11-tétraméthyl-8-[1-(3,5,6-triméthyl-4-oxo-4H-pyran-2-yl)éthyl]-1,7-dioxaspiro[5.5]undécan-4-one [French] [ACD/IUPAC Name]
92125-69-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 670.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.7±6.0 kJ/mol
Flash Point: 214.4±25.0 °C
Index of Refraction: 1.543
Molar Refractivity: 134.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 286.90
ACD/KOC (pH 5.5): 1999.15
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 286.89
ACD/KOC (pH 7.4): 1999.12
Polar Surface Area: 123 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 426.5±5.0 cm3

Click to predict properties on the Chemicalize site


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