ChemSpider 2D Image | 9-(1,3-Benzodioxol-5-yl)-4-[(4-O-β-D-glucopyranosyl-2,3-di-O-methyl-β-D-xylopyranosyl)oxy]-6,7-dimethoxynaphtho[2,3-c]furan-1(3H)-one | C34H38O16

9-(1,3-Benzodioxol-5-yl)-4-[(4-O-β-D-glucopyranosyl-2,3-di-O-methyl-β-D-xylopyranosyl)oxy]-6,7-dimethoxynaphtho[2,3-c]furan-1(3H)-one

  • Molecular FormulaC34H38O16
  • Average mass702.656 Da
  • Monoisotopic mass702.216003 Da
  • ChemSpider ID116351
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

133882-75-4 [RN]
4-O-β-D-Glucopyranosyl-2,3-di-O-méthyl-β-D-xylopyranoside de 9-(1,3-benzodioxol-5-yl)-6,7-diméthoxy-1-oxo-1,3-dihydronaphto[2,3-c]furan-4-yle [French] [ACD/IUPAC Name]
9-(1,3-Benzodioxol-5-yl)-4-[(4-O-β-D-glucopyranosyl-2,3-di-O-methyl-β-D-xylopyranosyl)oxy]-6,7-dimethoxynaphtho[2,3-c]furan-1(3H)-one
9-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl 4-O-β-D-glucopyranosyl-2,3-di-O-methyl-β-D-xylopyranoside [ACD/IUPAC Name]
9-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl-4-O-β-D-glucopyranosyl-2,3-di-O-methyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
Naphtho(2,3-c)furan-1(3H)-one, 9-(1,3-benzodioxol-5-yl)-4-((4-O-β-D-glucopyranosyl-2,3-di-O-methyl-β-D-xylopyranosyl)oxy)-6,7-dimethoxy-
Naphtho[2,3-c]furan-1(3H)-one, 9-(1,3-benzodioxol-5-yl)-4-[(4-O-β-D-glucopyranosyl-2,3-di-O-methyl-β-D-xylopyranosyl)oxy]-6,7-dimethoxy- [ACD/Index Name]
Diphyllin-4-O-glucopyranosyl(1-4)-2,3-di-O-methylxylopyranoside
Ramontoside

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 930.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.8±3.0 kJ/mol
Flash Point: 295.1±27.8 °C
Index of Refraction: 1.670
Molar Refractivity: 169.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.11
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 37.12
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 37.12
Polar Surface Area: 200 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 78.9±5.0 dyne/cm
Molar Volume: 453.6±5.0 cm3

Click to predict properties on the Chemicalize site






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