ChemSpider 2D Image | (5R,6R,7R,8R)-N-(1,3-Benzodioxol-5-ylmethyl)-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxamide | C30H31NO10

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

  • Molecular FormulaC30H31NO10
  • Average mass565.568 Da
  • Monoisotopic mass565.194824 Da
  • ChemSpider ID53598133
  • 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-(1,3-Benzodioxol-5-ylmethyl)-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-(1,3-Benzodioxol-5-ylmethyl)-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-(1,3-Benzodioxol-5-ylméthyl)-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-(1,3-benzodioxol-5-ylmethyl)-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: 1.4±0.1 g/cm3
Boiling Point: 783.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 427.6±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 144.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 33.01
ACD/KOC (pH 5.5): 425.30
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 33.01
ACD/KOC (pH 7.4): 425.30
Polar Surface Area: 134 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 411.1±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement