ChemSpider 2D Image | (5R,6R,7R,8R)-N-{3-[(1-Ethyl-4-piperidinyl)oxy]propyl}-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxamide | C32H44N2O9

(5R,6R,7R,8R)-N-{3-[(1-Ethyl-4-piperidinyl)oxy]propyl}-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxamide

  • Molecular FormulaC32H44N2O9
  • Average mass600.700 Da
  • Monoisotopic mass600.304688 Da
  • ChemSpider ID53597955
  • 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-[(1-Ethyl-4-piperidinyl)oxy]propyl}-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-[(1-Ethyl-4-piperidinyl)oxy]propyl}-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-[(1-Éthyl-4-pipéridinyl)oxy]propyl}-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-[(1-ethyl-4-piperidinyl)oxy]propyl]-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: 767.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 417.7±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 159.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.45
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 1.65
ACD/KOC (pH 7.4): 19.82
Polar Surface Area: 128 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 459.8±5.0 cm3

Click to predict properties on the Chemicalize site






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