ChemSpider 2D Image | (5R,6R,7R,8R)-N-(3-Ethoxypropyl)-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxamide | C27H35NO9

(5R,6R,7R,8R)-N-(3-Ethoxypropyl)-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxamide

  • Molecular FormulaC27H35NO9
  • Average mass517.568 Da
  • Monoisotopic mass517.231201 Da
  • ChemSpider ID53598047

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5R,6R,7R,8R)-N-(3-Ethoxypropyl)-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxol-6-carboxamid [German] [ACD/IUPAC Name]
(5R,6R,7R,8R)-N-(3-Ethoxypropyl)-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxamide [ACD/IUPAC Name]
(5R,6R,7R,8R)-N-(3-Éthoxypropyl)-8-hydroxy-7-(hydroxyméthyl)-5-(3,4,5-triméthoxyphényl)-5,6,7,8-tétrahydronaphto[2,3-d][1,3]dioxole-6-carboxamide [French] [ACD/IUPAC Name]
Naphtho[2,3-d]-1,3-dioxole-6-carboxamide, N-(3-ethoxypropyl)-5,6,7,8-tetrahydro-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-, (5R,6R,7R,8R)- [ACD/Index 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: 708.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 382.5±32.9 °C
Index of Refraction: 1.568
Molar Refractivity: 134.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.73
ACD/KOC (pH 5.5): 315.25
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.73
ACD/KOC (pH 7.4): 315.25
Polar Surface Area: 125 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 411.6±3.0 cm3

Click to predict properties on the Chemicalize site


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