ChemSpider 2D Image | 2-[(2R,6aS,12aR)-8,9-Dimethoxy-6-oxo-1,2,6,6a,12,12a-hexahydrochromeno[3,4-b]furo[2,3-h]chromen-2-yl]-2-propen-1-yl 6-O-alpha-D-ribopyranosyl-beta-L-talopyranoside | C34H40O16

2-[(2R,6aS,12aR)-8,9-Dimethoxy-6-oxo-1,2,6,6a,12,12a-hexahydrochromeno[3,4-b]furo[2,3-h]chromen-2-yl]-2-propen-1-yl 6-O-α-D-ribopyranosyl-β-L-talopyranoside

  • Molecular FormulaC34H40O16
  • Average mass704.672 Da
  • Monoisotopic mass704.231628 Da
  • ChemSpider ID7819607

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

2-[(2R,6aS,12aR)-8,9-Dimethoxy-6-oxo-1,2,6,6a,12,12a-hexahydrochromeno[3,4-b]furo[2,3-h]chromen-2-yl]-2-propen-1-yl 6-O-α-D-ribopyranosyl-β-L-talopyranoside [ACD/IUPAC Name]
2-[(2R,6aS,12aR)-8,9-Dimethoxy-6-oxo-1,2,6,6a,12,12a-hexahydrochromeno[3,4-b]furo[2,3-h]chromen-2-yl]-2-propen-1-yl-6-O-α-D-ribopyranosyl-β-L-talopyranosid [German] [ACD/IUPAC Name]
6-O-α-D-Ribopyranosyl-β-L-talopyranoside de 2-[(2R,6aS,12aR)-8,9-diméthoxy-6-oxo-1,2,6,6a,12,12a-hexahydrochroméno[3,4-b]furo[2,3-h]chromén-2-yl]-2-propén-1-yle [French] [ACD/IUPAC Name]
Furo[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-[1-[[(6-O-α-D-ribopyranosyl-β-L-talopyranosyl)oxy]methyl]ethenyl]-, (2R,6aS,12aR)- [ACD/Index Name]

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

ZINC08435209 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 928.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.5±3.0 kJ/mol
Flash Point: 293.7±27.8 °C
Index of Refraction: 1.673
Molar Refractivity: 167.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.07
ACD/KOC (pH 5.5): 194.56
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.07
ACD/KOC (pH 7.4): 194.56
Polar Surface Area: 222 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 84.1±5.0 dyne/cm
Molar Volume: 446.5±5.0 cm3

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