ChemSpider 2D Image | Grossamide | C36H36N2O8

Grossamide

  • Molecular FormulaC36H36N2O8
  • Average mass624.680 Da
  • Monoisotopic mass624.247192 Da
  • ChemSpider ID4944913

  • 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,3R)-2-(4-Hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(1E)-3-{[2-(4-hydroxyphenyl)ethyl]amino}-3-oxo-1-propen-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamid [German] [ACD/IUPAC Name]
(2R,3R)-2-(4-Hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(1E)-3-{[2-(4-hydroxyphenyl)ethyl]amino}-3-oxo-1-propen-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide [ACD/IUPAC Name]
(2R,3R)-2-(4-Hydroxy-3-méthoxyphényl)-N-[2-(4-hydroxyphényl)éthyl]-5-[(1E)-3-{[2-(4-hydroxyphényl)éthyl]amino}-3-oxo-1-propén-1-yl]-7-méthoxy-2,3-dihydro-1-benzofurane-3-carboxamide [French] [ACD/IUPAC Name]
3-Benzofurancarboxamide, 2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(1E)-3-[[2-(4-hydroxyphenyl)ethyl]amino]-3-oxo-1-propen-1-yl]-7-methoxy-, (2R,3R)- [ACD/Index Name]
Grossamide
3-Benzofurancarboxamide, 2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxyphenyl)ethyl)-5-((1E)-3-((2-(4-hydroxyphenyl)ethyl)amino)-3-oxo-1-propenyl)-7-methoxy-, (2R,3R)-rel-
80510-06-1 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL500729/
MFCD21333753

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

Density: 1.3±0.1 g/cm3
Boiling Point: 934.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.7±3.0 kJ/mol
Flash Point: 519.2±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 174.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 164.30
ACD/KOC (pH 5.5): 1341.35
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 162.79
ACD/KOC (pH 7.4): 1329.03
Polar Surface Area: 147 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 474.9±3.0 cm3

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