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Search term: C25H24O12 (Found by synonym)

ChemSpider 2D Image | Methyl 7-(beta-D-allopyranosyloxy)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-4H-chromene-2-carboxylate | C25H24O12

Methyl 7-(β-D-allopyranosyloxy)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-4H-chromene-2-carboxylate

  • Molecular FormulaC25H24O12
  • Average mass516.451 Da
  • Monoisotopic mass516.126770 Da
  • ChemSpider ID17463517
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

4H-1-Benzopyran-2-carboxylic acid, 7-(β-D-allopyranosyloxy)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-, methyl ester [ACD/Index Name]
7-(β-D-Allopyranosyloxy)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-4H-chromène-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 7-(β-D-allopyranosyloxy)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-4H-chromene-2-carboxylate [ACD/IUPAC Name]
Methyl-7-(β-D-allopyranosyloxy)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-4H-chromen-2-carboxylat [German] [ACD/IUPAC Name]
956932-43-7 [RN]
C25H24O12
MCULE-1856867627
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromene-2-carboxylate
methyl 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-7-(((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromene-2-carboxylate
MolPort-002-516-482
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 765.8±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: 261.5±26.4 °C
Index of Refraction: 1.656
Molar Refractivity: 121.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.01
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.55
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.55
Polar Surface Area: 170 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 74.8±3.0 dyne/cm
Molar Volume: 330.9±3.0 cm3

Click to predict properties on the Chemicalize site






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