ChemSpider 2D Image | Methyl 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-(methoxymethyl)-4-[(2,3,4-tri-O-methyl-beta-D-xylopyranosyl)oxy]-2-naphthoate | C31H36O12

Methyl 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-(methoxymethyl)-4-[(2,3,4-tri-O-methyl-β-D-xylopyranosyl)oxy]-2-naphthoate

  • Molecular FormulaC31H36O12
  • Average mass600.610 Da
  • Monoisotopic mass600.220703 Da
  • ChemSpider ID90663954

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-(1,3-Benzodioxol-5-yl)-6,7-diméthoxy-3-(méthoxyméthyl)-4-[(2,3,4-tri-O-méthyl-β-D-xylopyranosyl)oxy]-2-naphtoate de méthyle [French] [ACD/IUPAC Name]
2-Naphthalenecarboxylic acid, 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-(methoxymethyl)-4-[(2,3,4-tri-O-methyl-β-D-xylopyranosyl)oxy]-, methyl ester [ACD/Index Name]
Methyl 1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-(methoxymethyl)-4-[(2,3,4-tri-O-methyl-β-D-xylopyranosyl)oxy]-2-naphthoate [ACD/IUPAC Name]
Methyl-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-(methoxymethyl)-4-[(2,3,4-tri-O-methyl-β-D-xylopyranosyl)oxy]-2-naphthoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 692.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 288.1±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 153.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 303.23
ACD/KOC (pH 5.5): 2079.98
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 303.23
ACD/KOC (pH 7.4): 2079.98
Polar Surface Area: 119 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 451.4±5.0 cm3

Click to predict properties on the Chemicalize site


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