ChemSpider 2D Image | Methyl (5R,6R,7R)-7-(hydroxymethyl)-8-oxo-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxylate | C23H24O9

Methyl (5R,6R,7R)-7-(hydroxymethyl)-8-oxo-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxylate

  • Molecular FormulaC23H24O9
  • Average mass444.431 Da
  • Monoisotopic mass444.142029 Da
  • ChemSpider ID23126939

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5R,6R,7R)-7-(Hydroxyméthyl)-8-oxo-5-(3,4,5-triméthoxyphényl)-5,6,7,8-tétrahydronaphto[2,3-d][1,3]dioxole-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (5R,6R,7R)-7-(hydroxymethyl)-8-oxo-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxylate [ACD/IUPAC Name]
Methyl-(5R,6R,7R)-7-(hydroxymethyl)-8-oxo-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxol-6-carboxylat [German] [ACD/IUPAC Name]
Naphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-7-(hydroxymethyl)-8-oxo-5-(3,4,5-trimethoxyphenyl)-, methyl ester, (5R,6R,7R)- [ACD/Index Name]
(5R,6R,7R)-7-Hydroxymethyl-8-oxo-5-(3,4,5-trimethoxy-phenyl)-5,6,7,8-tetrahydro-naphtho[2,3-d][1,3]dioxole-6-carboxylic acid methyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 581.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 198.0±23.6 °C
Index of Refraction: 1.574
Molar Refractivity: 111.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.04
ACD/KOC (pH 5.5): 387.99
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.04
ACD/KOC (pH 7.4): 387.99
Polar Surface Area: 110 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 336.3±3.0 cm3

Click to predict properties on the Chemicalize site


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