ChemSpider 2D Image | (3R,4S,5S)-5-(1,3-Benzodioxol-5-yl)-4-(methoxycarbonyl)-5-methyl-2-oxotetrahydro-3-furancarboxylic 3,4,5-trimethoxybenzoic anhydride | C25H24O12

(3R,4S,5S)-5-(1,3-Benzodioxol-5-yl)-4-(methoxycarbonyl)-5-methyl-2-oxotetrahydro-3-furancarboxylic 3,4,5-trimethoxybenzoic anhydride

  • Molecular FormulaC25H24O12
  • Average mass516.451 Da
  • Monoisotopic mass516.126770 Da
  • ChemSpider ID114896

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,4S,5S)-5-(1,3-Benzodioxol-5-yl)-4-(methoxycarbonyl)-5-methyl-2-oxotetrahydro-3-furancarbonsäure3,4,5-trimethoxybenzoesäureanhydrid [German] [ACD/IUPAC Name]
(3R,4S,5S)-5-(1,3-Benzodioxol-5-yl)-4-(methoxycarbonyl)-5-methyl-2-oxotetrahydro-3-furancarboxylic 3,4,5-trimethoxybenzoic anhydride [ACD/IUPAC Name]
Anhydride (3R,4S,5S)-5-(1,3-benzodioxol-5-yl)-4-(méthoxycarbonyl)-5-méthyl-2-oxotétrahydro-3-furanecarboxylique-3,4,5-triméthoxybenzoïque [French] [ACD/IUPAC Name]
122860-98-4 [RN]
dimethyl 2,3,4,5-tetrahydro-5-(3,4-methylenedioxyphenyl)-2-oxo-3-(3,4,5-trimethoxybenzoyl)-3,4-furandicarboxylate
Tmtm-furandicarboxylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 700.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 298.5±32.9 °C
Index of Refraction: 1.563
Molar Refractivity: 122.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.71
ACD/KOC (pH 5.5): 394.13
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 25.57
ACD/KOC (pH 7.4): 339.30
Polar Surface Area: 142 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 376.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement