ChemSpider 2D Image | (3beta,5alpha,11beta,14xi)-3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-11,14,19-trihydroxycard-20(22)-enolide | C29H44O10

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

  • Molecular FormulaC29H44O10
  • Average mass552.654 Da
  • Monoisotopic mass552.293457 Da
  • ChemSpider ID177819

  • defined stereocentres - 13 of 14 defined stereocentres

More details:

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

(3β,5α,11β,14ξ)-3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-11,14,19-trihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5α,11β,14ξ)-3-[(6-Desoxy-α-L-mannopyranosyl)oxy]-11,14,19-trihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5α,11β,14ξ)-3-[(6-Désoxy-α-L-mannopyranosyl)oxy]-11,14,19-trihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-11,14,19-trihydroxy-, (3β,5α,11β,14ξ)- [ACD/Index Name]
17669-76-0 [RN]
3-((6-Deoxy-α-L-mannopyranosyl)oxy)-11,14,19-trihydroxycard-20(22)-enolide (3β,5α,11β)-
Card-20(22)-enolide, 3-((6-deoxy-α-L-mannopyranosyl)oxy)-11,14,19-trihydroxy-, (3β,5α,11β)-
Panoside

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

BRN 1673741 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 771.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.0±6.0 kJ/mol
Flash Point: 251.3±26.4 °C
Index of Refraction: 1.626
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 0.41
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.36
ACD/LogD (pH 7.4): -0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.36
Polar Surface Area: 166 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 389.9±5.0 cm3

Click to predict properties on the Chemicalize site


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