ChemSpider 2D Image | (1beta,3beta,5beta,8alpha,11alpha,14alpha)-3-[(6-Deoxy-beta-L-glucopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-enolide | C29H44O12

(1β,3β,5β,8α,11α,14α)-3-[(6-Deoxy-β-L-glucopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-enolide

  • Molecular FormulaC29H44O12
  • Average mass584.653 Da
  • Monoisotopic mass584.283264 Da
  • ChemSpider ID5036947

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(1β,3β,5β,8α,11α,14α)-3-[(6-Deoxy-β-L-glucopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-enolide [ACD/IUPAC Name]
(1β,3β,5β,8α,11α,14α)-3-[(6-Desoxy-β-L-glucopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(1β,3β,5β,8α,11α,14α)-3-[(6-Désoxy-β-L-glucopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(6-deoxy-β-L-glucopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, (1β,3β,5β,8α,11α,14α)- [ACD/Index Name]

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

NCGC00017394-01 [DBID]
TNP00120 [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: 838.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.6±6.0 kJ/mol
Flash Point: 272.9±27.8 °C
Index of Refraction: 1.655
Molar Refractivity: 141.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -1.64
ACD/LogD (pH 5.5): -1.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.28
ACD/LogD (pH 7.4): -1.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.28
Polar Surface Area: 207 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 83.8±5.0 dyne/cm
Molar Volume: 384.7±5.0 cm3

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