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

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

  • Molecular FormulaC29H44O10
  • Average mass552.654 Da
  • Monoisotopic mass552.293457 Da
  • ChemSpider ID2297474

  • defined stereocentres - 13 of 14 defined stereocentres

More details:

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

(3β,5β,11α,14ξ)-3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5,11,14-trihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,11α,14ξ)-3-[(6-Desoxy-α-L-mannopyranosyl)oxy]-5,11,14-trihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,11α,14ξ)-3-[(6-Désoxy-α-L-mannopyranosyl)oxy]-5,11,14-trihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5,11,14-trihydroxy-, (3β,5β,11α,14ξ)- [ACD/Index Name]
11050-23-0 [RN]
3-β-(α-L-Rhamnopyranoside)-5,11-α,14-β-trihydroxy-5-β-card(20,22)enolide
51806-53-2 [RN]
5-β-CARD-20(22)-ENOLIDE, 3-β-((6-DEOXY-α-L-MANNOPYRANOSYL)OXY)-5,11-al
5-β-Card-20(22)-enolide, 3-β-((6-deoxy-α-L-mannopyranosyl)oxy)-5,11-α,14-trihydroxy-
6869-51-8 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 759.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.2±6.0 kJ/mol
Flash Point: 247.2±26.4 °C
Index of Refraction: 1.627
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.28
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.28
Polar Surface Area: 166 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 71.2±5.0 dyne/cm
Molar Volume: 389.7±5.0 cm3

Click to predict properties on the Chemicalize site


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