ChemSpider 2D Image | (5S,6S,7S,8S)-8-Hydroxy-7-(hydroxymethyl)-N-phenyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxamide | C28H29NO8

(5S,6S,7S,8S)-8-Hydroxy-7-(hydroxymethyl)-N-phenyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxamide

  • Molecular FormulaC28H29NO8
  • Average mass507.532 Da
  • Monoisotopic mass507.189331 Da
  • ChemSpider ID53598087

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5S,6S,7S,8S)-8-Hydroxy-7-(hydroxymethyl)-N-phenyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxol-6-carboxamid [German] [ACD/IUPAC Name]
(5S,6S,7S,8S)-8-Hydroxy-7-(hydroxymethyl)-N-phenyl-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxamide [ACD/IUPAC Name]
(5S,6S,7S,8S)-8-Hydroxy-7-(hydroxyméthyl)-N-phényl-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, 5,6,7,8-tetrahydro-8-hydroxy-7-(hydroxymethyl)-N-phenyl-5-(3,4,5-trimethoxyphenyl)-, (5S,6S,7S,8S)- [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: 722.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 390.6±32.9 °C
Index of Refraction: 1.635
Molar Refractivity: 135.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 70.06
ACD/KOC (pH 5.5): 728.82
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 70.06
ACD/KOC (pH 7.4): 728.82
Polar Surface Area: 116 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 377.8±3.0 cm3

Click to predict properties on the Chemicalize site


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