ChemSpider 2D Image | Borapetoside A | C26H34O12

Borapetoside A

  • Molecular FormulaC26H34O12
  • Average mass538.541 Da
  • Monoisotopic mass538.205017 Da
  • ChemSpider ID10270492

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3S,3aS,5aS,6aR,9S,10aS,10bS,10cS)-9-(3-Furyl)-3a-hydroxy-10a,10c-dimethyl-4,7-dioxododecahydro-1H,4H-[2]benzofuro[7,1-fg]isochromen-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3S,3aS,5aS,6aR,9S,10aS,10bS,10cS)-9-(3-Furyl)-3a-hydroxy-10a,10c-dimethyl-4,7-dioxododecahydro-1H,4H-[2]benzofuro[7,1-fg]isochromen-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H,7H-Furo[2',3',4':4,5]naphtho[2,1-c]pyran-4,7-dione, 9-(3-furanyl)-3-(β-D-glucopyranosyloxy)dodecahydro-3a-hydroxy-10a,10c-dimethyl-, (3S,3aS,5aS,6aR,9S,10aS,10bS,10cS)- [ACD/Index Name]
Borapetoside A
β-D-Glucopyranoside de (3S,3aS,5aS,6aR,9S,10aS,10bS,10cS)-9-(3-furyl)-3a-hydroxy-10a,10c-diméthyl-4,7-dioxododécahydro-1H,4H-[2]benzofuro[7,1-fg]isochromén-3-yle [French] [ACD/IUPAC Name]
100202-29-7 [RN]
Borapetoside

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

Density: 1.5±0.1 g/cm3
Boiling Point: 790.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.6±3.0 kJ/mol
Flash Point: 431.9±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 125.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -2.41
ACD/LogD (pH 5.5): -1.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.00
ACD/LogD (pH 7.4): -1.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.00
Polar Surface Area: 185 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 78.6±5.0 dyne/cm
Molar Volume: 348.7±5.0 cm3

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