ChemSpider 2D Image | (3beta,5beta)-3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-14,19-dihydroxycard-20(22)-enolide | C29H44O9

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

  • Molecular FormulaC29H44O9
  • Average mass536.654 Da
  • Monoisotopic mass536.298523 Da
  • ChemSpider ID19989039

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,5β)-3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-14,19-dihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-[(6-Desoxy-α-L-mannopyranosyl)oxy]-14,19-dihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-[(6-Désoxy-α-L-mannopyranosyl)oxy]-14,19-dihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-((6-deoxy-α-L-mannopyranosyl)oxy)-14,19-dihydroxy-, (3β,5β)-
Card-20(22)-enolide, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-14,19-dihydroxy-, (3β,5β)- [ACD/Index Name]
4-((3S,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-10-(hydroxymethyl)-13-methyl-3-((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-2H-pyran-2-yloxy)-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL400877/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 735.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.5±6.0 kJ/mol
Flash Point: 239.3±26.4 °C
Index of Refraction: 1.614
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 2.88
ACD/KOC (pH 5.5): 74.17
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.88
ACD/KOC (pH 7.4): 74.17
Polar Surface Area: 146 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 392.0±5.0 cm3

Click to predict properties on the Chemicalize site


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