ChemSpider 2D Image | (3beta,5beta,11alpha)-3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,11,14-trihydroxy-19-oxocard-20(22)-enolide | C29H42O11

(3β,5β,11α)-3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5,11,14-trihydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC29H42O11
  • Average mass566.637 Da
  • Monoisotopic mass566.272705 Da
  • ChemSpider ID115284687
  • defined stereocentres - 14 of 14 defined stereocentres


More details:






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

(3β,5β,11α)-3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5,11,14-trihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,11α)-3-[(6-Desoxy-α-L-mannopyranosyl)oxy]-5,11,14-trihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,11α)-3-[(6-Désoxy-α-L-mannopyranosyl)oxy]-5,11,14-trihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5,11,14-trihydroxy-19-oxo-, (3β,5β,11α)- [ACD/Index Name]
(3S,5S,8R,9S,10S,11R,13R,14S,17R)-5,11,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
6875-30-5 [RN]
Tholloside

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

Density: 1.5±0.1 g/cm3
Boiling Point: 793.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.5±6.0 kJ/mol
Flash Point: 259.0±26.4 °C
Index of Refraction: 1.635
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -0.06
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.06
ACD/LogD (pH 7.4): -0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.06
Polar Surface Area: 183 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 75.8±5.0 dyne/cm
Molar Volume: 386.6±5.0 cm3

Click to predict properties on the Chemicalize site






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