ChemSpider 2D Image | 1-O-[(2alpha,3beta,5xi,9xi,19alpha)-2,3,19-Trihydroxy-24,28-dioxoolean-12-en-28-yl]-beta-D-glucopyranose | C36H56O11

1-O-[(2α,3β,5ξ,9ξ,19α)-2,3,19-Trihydroxy-24,28-dioxoolean-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC36H56O11
  • Average mass664.823 Da
  • Monoisotopic mass664.382263 Da
  • ChemSpider ID90615803

  • defined stereocentres - 14 of 16 defined stereocentres

More details:

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

1-O-[(2α,3β,5ξ,9ξ,19α)-2,3,19-Trihydroxy-24,28-dioxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2α,3β,5ξ,9ξ,19α)-2,3,19-Trihydroxy-24,28-dioxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2α,3β,5ξ,9ξ,19α)-2,3,19-Trihydroxy-24,28-dioxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(2α,3β,5ξ,9ξ,19α)-2,3,19-trihydroxy-24,28-dioxoolean-12-en-28-yl]- [ACD/Index Name]
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aS,6bR,9R,10R,11R,12aR,14bS)-9-formyl-1,10,11-trihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
177413-34-2 [RN]
NCGC00385385-01C36H56O111-O-[(2α,3β,19α)-2,3,19-Trihydroxy-24,28-dioxoolean-12-en-28-yl]-β-D-glucopyranose
Paradrymonoside

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

Density: 1.4±0.1 g/cm3
Boiling Point: 767.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.5±6.0 kJ/mol
Flash Point: 232.8±26.4 °C
Index of Refraction: 1.611
Molar Refractivity: 170.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 447.82
ACD/KOC (pH 5.5): 2749.55
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 447.81
ACD/KOC (pH 7.4): 2749.52
Polar Surface Area: 194 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 491.5±5.0 cm3

Click to predict properties on the Chemicalize site


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