ChemSpider 2D Image | (1beta,2alpha,9xi,11beta,12alpha,15beta)-1,2,11,12,14,15-Hexahydroxypicras-4-en-16-one | C20H30O8

(1β,2α,9ξ,11β,12α,15β)-1,2,11,12,14,15-Hexahydroxypicras-4-en-16-one

  • Molecular FormulaC20H30O8
  • Average mass398.447 Da
  • Monoisotopic mass398.194061 Da
  • ChemSpider ID29814295

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(1β,2α,9ξ,11β,12α,15β)-1,2,11,12,14,15-Hexahydroxypicras-4-en-16-on [German] [ACD/IUPAC Name]
(1β,2α,9ξ,11β,12α,15β)-1,2,11,12,14,15-Hexahydroxypicras-4-en-16-one [ACD/IUPAC Name]
(1β,2α,9ξ,11β,12α,15β)-1,2,11,12,14,15-Hexahydroxypicras-4-én-16-one [French] [ACD/IUPAC Name]
Picras-4-en-16-one, 1,2,11,12,14,15-hexahydroxy-, (1β,2α,9ξ,11β,12α,15β)- [ACD/Index Name]
(2R,3S,4S,9R,12R,13R,14S,15R,16R,17S)-3,4,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-6-en-11-one
Compound NP-015947
NCGC00347530-02C20H30O8Picras-4-en-16-one, 1,2,11,12,14,15-hexahydroxy-, (1β,2α,9ξ,11β,12α,15β)-

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

Density: 1.5±0.1 g/cm3
Boiling Point: 580.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.6±6.0 kJ/mol
Flash Point: 202.2±23.6 °C
Index of Refraction: 1.641
Molar Refractivity: 96.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -0.75
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.06
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.06
Polar Surface Area: 148 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 76.1±5.0 dyne/cm
Molar Volume: 268.6±5.0 cm3

Click to predict properties on the Chemicalize site


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