ChemSpider 2D Image | (2R,3R,5R,6R,8S,9S,10R,11R)-8,10-Dihydroxy-3,5,9,11-tetramethyl-2-[(2R)-3-oxo-2-pentanyl]-8-[(1S)-1-(3,5,6-trimethyl-4-oxo-4H-pyran-2-yl)ethyl]-1,7-dioxaspiro[5.5]undecan-4-one | C28H42O8

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

  • Molecular FormulaC28H42O8
  • Average mass506.628 Da
  • Monoisotopic mass506.287964 Da
  • ChemSpider ID10356244

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 666.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.2±6.0 kJ/mol
Flash Point: 213.8±25.0 °C
Index of Refraction: 1.537
Molar Refractivity: 133.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 271.75
ACD/KOC (pH 5.5): 1923.03
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 271.75
ACD/KOC (pH 7.4): 1923.00
Polar Surface Area: 119 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 425.5±5.0 cm3

Click to predict properties on the Chemicalize site


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