ChemSpider 2D Image | (3beta,5alpha,11beta,14xi)-3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-11,14-dihydroxycard-20(22)-enolide | C29H44O9

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

  • Molecular FormulaC29H44O9
  • Average mass536.654 Da
  • Monoisotopic mass536.298523 Da
  • ChemSpider ID177700

  • 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-dihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5α,11β,14ξ)-3-[(6-Desoxy-α-L-mannopyranosyl)oxy]-11,14-dihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5α,11β,14ξ)-3-[(6-Désoxy-α-L-mannopyranosyl)oxy]-11,14-dihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-11,14-dihydroxy-, (3β,5α,11β,14ξ)- [ACD/Index Name]
17489-40-6 [RN]
3-((6-Deoxy-α-L-mannopyranosyl)oxy)-11,14-dihydroxycard-20(22)-enolide (3β,5α,11β)-
Card-20(22)-enolide, 3-((6-deoxy-α-L-mannopyranosyl)oxy)-11,14-dihydroxy-
Card-20(22)-enolide, 3-((6-deoxy-α-L-mannopyranosyl)oxy)-11,14-dihydroxy-, (3β,5α,11β)-
CARD-20(22)-ENOLIDE,3-[(6-DEOXY-A-L-MANNOPYRANOSYL)OXY]-11,14-DIHYDROXY-,(3B,5A,11B)- (9CI)
Malloside

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

Density: 1.4±0.1 g/cm3
Boiling Point: 729.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.6±6.0 kJ/mol
Flash Point: 237.3±26.4 °C
Index of Refraction: 1.612
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.72
ACD/KOC (pH 5.5): 89.15
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.72
ACD/KOC (pH 7.4): 89.14
Polar Surface Area: 146 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 65.4±5.0 dyne/cm
Molar Volume: 392.7±5.0 cm3

Click to predict properties on the Chemicalize site


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