ChemSpider 2D Image | 6-{6-O-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranosyl}-8-methoxy[1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6H)-one | C32H27NO11

6-{6-O-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}-8-methoxy[1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6H)-one

  • Molecular FormulaC32H27NO11
  • Average mass601.557 Da
  • Monoisotopic mass601.158386 Da
  • ChemSpider ID4943888

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1,3-Benzodioxolo[6,5,4-cd]benz[f]indol-5(6H)-one, 6-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-8-methoxy- [ACD/Index Name]
6-{6-O-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}-8-methoxy[1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6H)-on [German] [ACD/IUPAC Name]
6-{6-O-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}-8-methoxy[1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6H)-one [ACD/IUPAC Name]
6-{6-O-[(2E)-3-(4-Hydroxyphényl)-2-propenoyl]-β-D-glucopyranosyl}-8-méthoxy[1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6H)-one [French] [ACD/IUPAC Name]
Benzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-5(6H)-one, 6-(6-O-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-β-D-glucopyranosyl)-8-methoxy-, (E)-
145613-84-9 [RN]
Aristolactam-N-(6'-trans-p-coumaroyl)-β-D-glucopyranoside
Benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one,6-[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-b-D-glucopyranosyl]-8-methoxy-, (E)- (9CI)
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL443426/
N-((6'-p-Coumaroyl)glucopyranosyl)aristolactam
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 937.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.9±3.0 kJ/mol
Flash Point: 520.7±34.3 °C
Index of Refraction: 1.770
Molar Refractivity: 157.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.88
ACD/KOC (pH 5.5): 587.72
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.60
ACD/KOC (pH 7.4): 584.66
Polar Surface Area: 164 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 86.4±3.0 dyne/cm
Molar Volume: 378.7±3.0 cm3

Click to predict properties on the Chemicalize site


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