ChemSpider 2D Image | Aspecioside | C29H42O10

Aspecioside

  • Molecular FormulaC29H42O10
  • Average mass550.638 Da
  • Monoisotopic mass550.277771 Da
  • ChemSpider ID390422

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(3β,5α,7β,12β)-3-[(6-Deoxy-β-D-allopyranosyl)oxy]-12,14-dihydroxy-7,8-epoxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5α,7β,12β)-3-[(6-Desoxy-β-D-allopyranosyl)oxy]-12,14-dihydroxy-7,8-epoxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5α,7β,12β)-3-[(6-Désoxy-β-D-allopyranosyl)oxy]-12,14-dihydroxy-7,8-époxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Aspecioside
Card-20(22)-enolide, 3-[(6-deoxy-β-D-allopyranosyl)oxy]-7,8-epoxy-12,14-dihydroxy-, (3β,5α,7β,12β)- [ACD/Index Name]
101915-75-7 [RN]

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

C08850 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 765.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.1±6.0 kJ/mol
Flash Point: 251.2±26.4 °C
Index of Refraction: 1.636
Molar Refractivity: 136.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 0.49
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 41.03
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 41.03
Polar Surface Area: 158 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 380.2±5.0 cm3

Click to predict properties on the Chemicalize site


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