ChemSpider 2D Image | (2R,3S)-3-(3,4-Dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-7-[(1E)-3-{[2-(4-hydroxyphenyl)ethyl]amino}-3-oxo-1-propen-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide | C34H32N2O8

(2R,3S)-3-(3,4-Dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-7-[(1E)-3-{[2-(4-hydroxyphenyl)ethyl]amino}-3-oxo-1-propen-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

  • Molecular FormulaC34H32N2O8
  • Average mass596.627 Da
  • Monoisotopic mass596.215881 Da
  • ChemSpider ID127384384

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-3-(3,4-Dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-7-[(1E)-3-{[2-(4-hydroxyphenyl)ethyl]amino}-3-oxo-1-propen-1-yl]-2,3-dihydro-1,4-benzodioxin-2-carboxamid [German] [ACD/IUPAC Name]
(2R,3S)-3-(3,4-Dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-7-[(1E)-3-{[2-(4-hydroxyphenyl)ethyl]amino}-3-oxo-1-propen-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide [ACD/IUPAC Name]
(2R,3S)-3-(3,4-Dihydroxyphényl)-N-[2-(4-hydroxyphényl)éthyl]-7-[(1E)-3-{[2-(4-hydroxyphényl)éthyl]amino}-3-oxo-1-propén-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide [French] [ACD/IUPAC Name]
1,4-Benzodioxin-2-carboxamide, 3-(3,4-dihydroxyphenyl)-2,3-dihydro-N-[2-(4-hydroxyphenyl)ethyl]-7-[(1E)-3-[[2-(4-hydroxyphenyl)ethyl]amino]-3-oxo-1-propen-1-yl]-, (2R,3S)- [ACD/Index Name]
(2S,3R)-2-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-6-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Cannabisin M

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 980.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.8±3.0 kJ/mol
Flash Point: 546.9±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 164.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 82.87
ACD/KOC (pH 5.5): 821.80
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.09
ACD/KOC (pH 7.4): 804.16
Polar Surface Area: 158 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 67.6±3.0 dyne/cm
Molar Volume: 434.2±3.0 cm3

Click to predict properties on the Chemicalize site


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