ChemSpider 2D Image | (2S,4aR,6aR,10S,10aS,10bS)-2-(3-Furyl)-6a-[(beta-D-glucopyranosyloxy)methyl]-10b-methyl-4,7-dioxododecahydro-2H-benzo[f]isochromen-10-yl acetate | C27H36O12

(2S,4aR,6aR,10S,10aS,10bS)-2-(3-Furyl)-6a-[(β-D-glucopyranosyloxy)methyl]-10b-methyl-4,7-dioxododecahydro-2H-benzo[f]isochromen-10-yl acetate

  • Molecular FormulaC27H36O12
  • Average mass552.568 Da
  • Monoisotopic mass552.220703 Da
  • ChemSpider ID23311265

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2S,4aR,6aR,10S,10aS,10bS)-2-(3-Furyl)-6a-[(β-D-glucopyranosyloxy)methyl]-10b-methyl-4,7-dioxododecahydro-2H-benzo[f]isochromen-10-yl acetate [ACD/IUPAC Name]
(2S,4aR,6aR,10S,10aS,10bS)-2-(3-Furyl)-6a-[(β-D-glucopyranosyloxy)methyl]-10b-methyl-4,7-dioxododecahydro-2H-benzo[f]isochromen-10-yl-acetat [German] [ACD/IUPAC Name]
(2S,4aR,6aR,10S,10aS,10bS)-2-(furan-3-yl)-6a-[(β-D-glucopyranosyloxy)methyl]-10b-methyl-4,7-dioxododecahydro-2H-benzo[f]isochromen-10-yl acetate
2H-Naphtho[2,1-c]pyran-4,7-dione, 10-(acetyloxy)-2-(3-furanyl)-6a-[(β-D-glucopyranosyloxy)methyl]decahydro-10b-methyl-, (2S,4aR,6aR,10S,10aS,10bS)- [ACD/Index Name]
Acétate de (2S,4aR,6aR,10S,10aS,10bS)-2-(3-furyl)-6a-[(β-D-glucopyranosyloxy)méthyl]-10b-méthyl-4,7-dioxododécahydro-2H-benzo[f]isochromén-10-yle [French] [ACD/IUPAC Name]
tinosposinenside A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 756.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 411.5±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 130.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.37
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.25
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.25
Polar Surface Area: 182 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 69.1±5.0 dyne/cm
Molar Volume: 382.1±5.0 cm3

Click to predict properties on the Chemicalize site


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