ChemSpider 2D Image | Funingenoside B | C44H68O19

Funingenoside B

  • Molecular FormulaC44H68O19
  • Average mass900.999 Da
  • Monoisotopic mass900.435486 Da
  • ChemSpider ID10187527

  • defined stereocentres - 22 of 23 defined stereocentres

More details:

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

(1S,4R,5R,6S,9R,10R,13R,14R)-6-{[β-D-Glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-α-L-ribo-hexopyranosyl]oxy}-9,13-dimethyl-17-oxo-14-(5-oxotetrahydro-3-furanyl)tet racyclo[11.3.1.01,10.04,9]heptadec-5-yl acetate [ACD/IUPAC Name]
(1S,4R,5R,6S,9R,10R,13R,14R)-6-{[β-D-Glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-2,6-didesoxy-3-O-methyl-α-L-ribo-hexopyranosyl]oxy}-9,13-dimethyl-17-oxo-14-(5-oxotetrahydro-3-furanyl)te tracyclo[11.3.1.01,10.04,9]heptadec-5-yl-acetat [German] [ACD/IUPAC Name]
2(3H)-Furanone, 4-[(3S,4R,4aR,6aS,9R,10R,12aR,12bR)-4-(acetyloxy)-3-[[O-β-D-glucopyranosyl-(1->6)-O-β-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-α-L-ribo-hexopyranosyl]oxy]tetradecahydro -10,12b-dimethyl-13-oxo-1H-6a,10-methanocycloocta[a]naphthalen-9-yl]dihydro- [ACD/Index Name]
Acétate de (1S,4R,5R,6S,9R,10R,13R,14R)-6-{[β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-2,6-didésoxy-3-O-méthyl-α-L-ribo-hexopyranosyl]oxy}-9,13-diméthyl-17-oxo-14-(5-oxotétrahydro-3 -furanyl)tétracyclo[11.3.1.01,10.04,9]heptadéc-5-yle [French] [ACD/IUPAC Name]
Funingenoside B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1001.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 165.6±6.0 kJ/mol
Flash Point: 291.7±27.8 °C
Index of Refraction: 1.600
Molar Refractivity: 215.8±0.4 cm3
#H bond acceptors: 19
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.98
ACD/KOC (pH 5.5): 56.72
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.98
ACD/KOC (pH 7.4): 56.72
Polar Surface Area: 276 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 69.9±5.0 dyne/cm
Molar Volume: 630.4±5.0 cm3

Click to predict properties on the Chemicalize site


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