ChemSpider 2D Image | Methyl (8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl D-glucopyranosiduronate | C29H32O14

Methyl (8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl D-glucopyranosiduronate

  • Molecular FormulaC29H32O14
  • Average mass604.556 Da
  • Monoisotopic mass604.179199 Da
  • ChemSpider ID8754915

  • defined stereocentres - 6 of 9 defined stereocentres

More details:

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

Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-[(6-methyl-D-glucopyranuronosyl)oxy]-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR)- [ACD/Index Name]
Methyl (8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl D-glucopyranosiduronate [ACD/IUPAC Name]
Methyl-(8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl-D-glucopyranosiduronat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 765.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 249.8±26.4 °C
Index of Refraction: 1.643
Molar Refractivity: 142.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.80
ACD/KOC (pH 5.5): 165.05
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 8.80
ACD/KOC (pH 7.4): 165.05
Polar Surface Area: 178 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 74.6±5.0 dyne/cm
Molar Volume: 393.4±5.0 cm3

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