ChemSpider 2D Image | (4R,5R)-4,5-Dihydroxy-1-{[4''-(pentyloxy)-1,1':4',1''-terphenyl-4-yl]carbonyl}-D-prolyl-L-allothreonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-L-allothreonyl-(3S,4S)-3-hy droxy-4-methyl-D-prolinamide | C58H73N7O17

(4R,5R)-4,5-Dihydroxy-1-{[4''-(pentyloxy)-1,1':4',1''-terphenyl-4-yl]carbonyl}-D-prolyl-L-allothreonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-L-allothreonyl-(3S,4S)-3-hy droxy-4-methyl-D-prolinamide

  • Molecular FormulaC58H73N7O17
  • Average mass1140.237 Da
  • Monoisotopic mass1139.506348 Da
  • ChemSpider ID107447377

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(4R,5R)-4,5-Dihydroxy-1-{[4''-(pentyloxy)-1,1':4',1''-terphenyl-4-yl]carbonyl}-D-prolyl-L-allothreonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-L-allothreonyl-(3S,4S)-3-hy droxy-4-methyl-D-prolinamid [German] [ACD/IUPAC Name]
(4R,5R)-4,5-Dihydroxy-1-{[4''-(pentyloxy)-1,1':4',1''-terphenyl-4-yl]carbonyl}-D-prolyl-L-allothreonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-L-allothreonyl-(3S,4S)-3-hy droxy-4-methyl-D-prolinamide [ACD/IUPAC Name]
(4R,5R)-4,5-Dihydroxy-1-{[4''-(pentyloxy)-1,1':4',1''-terphényl-4-yl]carbonyl}-D-prolyl-L-allothréonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-(4-hydroxyphényl)-L-thréonyl-L-allothréonyl-(3S,4S)-3-hy droxy-4-méthyl-D-prolinamide [French] [ACD/IUPAC Name]
D-Prolinamide, (4R,5R)-4,5-dihydroxy-1-[[4''-(pentyloxy)[1,1':4',1''-terphenyl]-4-yl]carbonyl]-D-prolyl-L-allothreonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-L-allothreo nyl-3-hydroxy-4-methyl-, (3S,4S)- [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: 1493.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 240.8±3.0 kJ/mol
Flash Point: 857.1±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 292.9±0.3 cm3
#H bond acceptors: 24
#H bond donors: 14
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 2.28
ACD/KOC (pH 5.5): 62.82
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 2.28
ACD/KOC (pH 7.4): 62.61
Polar Surface Area: 383 Å2
Polarizability: 116.1±0.5 10-24cm3
Surface Tension: 74.1±3.0 dyne/cm
Molar Volume: 806.0±3.0 cm3

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