ChemSpider 2D Image | dihydrosiphonarin B | C29H46O8

dihydrosiphonarin B

  • Molecular FormulaC29H46O8
  • Average mass522.671 Da
  • Monoisotopic mass522.319275 Da
  • ChemSpider ID10475108

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2S,3S,5S,6S,8R,9R,10S,11S)-8-[(1R)-1-(6-Ethyl-3,5-dimethyl-4-oxo-4H-pyran-2-yl)ethyl]-8,10-dihydroxy-2-[(2R,3S)-3-hydroxy-2-pentanyl]-3,5,9,11-tetramethyl-1,7-dioxaspiro[5.5]undecan-4-on [German] [ACD/IUPAC Name]
(2S,3S,5S,6S,8R,9R,10S,11S)-8-[(1R)-1-(6-Ethyl-3,5-dimethyl-4-oxo-4H-pyran-2-yl)ethyl]-8,10-dihydroxy-2-[(2R,3S)-3-hydroxy-2-pentanyl]-3,5,9,11-tetramethyl-1,7-dioxaspiro[5.5]undecan-4-one [ACD/IUPAC Name]
(2S,3S,5S,6S,8R,9R,10S,11S)-8-[(1R)-1-(6-Éthyl-3,5-diméthyl-4-oxo-4H-pyran-2-yl)éthyl]-8,10-dihydroxy-2-[(2R,3S)-3-hydroxy-2-pentanyl]-3,5,9,11-tétraméthyl-1,7-dioxaspiro[5.5]undécan-4-one [French] [ACD/IUPAC Name]
dihydrosiphonarin B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 678.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.0±6.0 kJ/mol
Flash Point: 215.1±25.0 °C
Index of Refraction: 1.540
Molar Refractivity: 139.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 522.69
ACD/KOC (pH 5.5): 3071.31
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 522.68
ACD/KOC (pH 7.4): 3071.26
Polar Surface Area: 123 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 442.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement