ChemSpider 2D Image | (1beta,3beta,5beta,11alpha,17xi)-3-[(6-Deoxyhexopyranosyl)oxy]-1,5,11,14-tetrahydroxycard-20(22)-enolide | C29H44O11

(1β,3β,5β,11α,17ξ)-3-[(6-Deoxyhexopyranosyl)oxy]-1,5,11,14-tetrahydroxycard-20(22)-enolide

  • Molecular FormulaC29H44O11
  • Average mass568.653 Da
  • Monoisotopic mass568.288391 Da
  • ChemSpider ID264927

  • defined stereocentres - 9 of 15 defined stereocentres

More details:

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

(1β,3β,5β,11α,17ξ)-3-[(6-Deoxyhexopyranosyl)oxy]-1,5,11,14-tetrahydroxycard-20(22)-enolide [ACD/IUPAC Name]
(1β,3β,5β,11α,17ξ)-3-[(6-Desoxyhexopyranosyl)oxy]-1,5,11,14-tetrahydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(1β,3β,5β,11α,17ξ)-3-[(6-Désoxyhexopyranosyl)oxy]-1,5,11,14-tétrahydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(6-deoxyhexopyranosyl)oxy]-1,5,11,14-tetrahydroxy-, (1β,3β,5β,11α,17ξ)- [ACD/Index Name]
20248-09-3 [RN]
ACOLONGIFLOROSIDE J
Card-20 (22)-enolide, 3-[(6-deoxy-α-L-talopyranosyl)oxy]-1,5,11,14-tetrahydroxy-, (1β,3β,5β,11α)-
Opposide

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

NSC173716 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 795.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.9±6.0 kJ/mol
Flash Point: 259.0±26.4 °C
Index of Refraction: 1.640
Molar Refractivity: 139.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.51
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.51
Polar Surface Area: 186 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 76.7±5.0 dyne/cm
Molar Volume: 387.5±5.0 cm3

Click to predict properties on the Chemicalize site


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