ChemSpider 2D Image | (1R,2R)-7-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-N,N'-bis[2-(4-hydroxyphenyl)ethyl]-6-methoxy-1,2-dihydro-2,3-naphthalenedicarboxamide | C36H36N2O8

(1R,2R)-7-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-N,N'-bis[2-(4-hydroxyphenyl)ethyl]-6-methoxy-1,2-dihydro-2,3-naphthalenedicarboxamide

  • Molecular FormulaC36H36N2O8
  • Average mass624.680 Da
  • Monoisotopic mass624.247192 Da
  • ChemSpider ID9767346
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,2R)-7-Hydroxy-1-(4-hydroxy-3-méthoxyphényl)-N,N'-bis[2-(4-hydroxyphényl)éthyl]-6-méthoxy-1,2-dihydro-2,3-naphtalènedicarboxamide [French] [ACD/IUPAC Name]
(1R,2R)-7-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-N,N'-bis[2-(4-hydroxyphenyl)ethyl]-6-methoxy-1,2-dihydro-2,3-naphthalenedicarboxamide [ACD/IUPAC Name]
(1R,2R)-7-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-N,N'-bis[2-(4-hydroxyphenyl)ethyl]-6-methoxy-1,2-dihydro-2,3-naphthalindicarboxamid [German] [ACD/IUPAC Name]
2,3-Naphthalenedicarboxamide, 1,2-dihydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-N2,N3-bis[2-(4-hydroxyphenyl)ethyl]-6-methoxy-, (1R,2R)- [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: 965.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.5±3.0 kJ/mol
Flash Point: 537.9±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 171.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 257.22
ACD/KOC (pH 5.5): 1848.72
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 253.17
ACD/KOC (pH 7.4): 1819.61
Polar Surface Area: 158 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 468.0±3.0 cm3

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