ChemSpider 2D Image | (3beta,5beta,8xi,9xi)-3-[(6-Deoxy-alpha-D-glycero-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide | C29H44O8

(3β,5β,8ξ,9ξ)-3-[(6-Deoxy-α-D-glycero-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide

  • Molecular FormulaC29H44O8
  • Average mass520.655 Da
  • Monoisotopic mass520.303589 Da
  • ChemSpider ID10072

  • defined stereocentres - 8 of 13 defined stereocentres

More details:

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

(3β,5β,8ξ,9ξ)-3-[(6-Deoxy-α-D-glycero-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ)-3-[(6-Desoxy-α-D-glycero-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ)-3-[(6-Désoxy-α-D-glycéro-hexopyranosyl)oxy]-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(6-deoxy-α-D-glycero-hexopyranosyl)oxy]-14-hydroxy-, (3β,5β,8ξ,9ξ)- [ACD/Index Name]
(3β,5β)-3-((6-Deoxy-α-L-mannopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
208-088-4 [EINECS]
4-[(3S,5R,10S,13R,14S,17R)-14-Hydroxy-10,13-dimethyl-3-((2S,5S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one
508-93-0 [RN]
5-β-CARD-20(22)-ENOLIDE, 3-β-((6-DEOXY-α-L-MANNOPYRANOSYL)OXY)-14-β
5-β-Card-20(22)-enolide, 3-β-((6-deoxy-α-L-mannopyranosyl)oxy)-14-β-hydroxy-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 694.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.3±6.0 kJ/mol
Flash Point: 225.4±25.0 °C
Index of Refraction: 1.600
Molar Refractivity: 135.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.59
ACD/KOC (pH 5.5): 412.13
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.59
ACD/KOC (pH 7.4): 412.13
Polar Surface Area: 126 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 60.6±5.0 dyne/cm
Molar Volume: 394.8±5.0 cm3

Click to predict properties on the Chemicalize site


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