ChemSpider 2D Image | 4-{(3R,5S)-6-[({5-[(Z)-(5-Fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl}carbonyl)amino]-3,5-dihydroxyhexanoyl}-3-morpholinecarboxylic acid | C27H31FN4O8

4-{(3R,5S)-6-[({5-[(Z)-(5-Fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl}carbonyl)amino]-3,5-dihydroxyhexanoyl}-3-morpholinecarboxylic acid

  • Molecular FormulaC27H31FN4O8
  • Average mass558.555 Da
  • Monoisotopic mass558.212585 Da
  • ChemSpider ID9516894

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

4-{(3R,5S)-6-[({5-[(Z)-(5-Fluor-2-oxo-1,2-dihydro-3H-indol-3-yliden)methyl]-2,4-dimethyl-1H-pyrrol-3-yl}carbonyl)amino]-3,5-dihydroxyhexanoyl}-3-morpholincarbonsäure [German] [ACD/IUPAC Name]
4-{(3R,5S)-6-[({5-[(Z)-(5-Fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl}carbonyl)amino]-3,5-dihydroxyhexanoyl}-3-morpholinecarboxylic acid [ACD/IUPAC Name]
Acide 4-{(3R,5S)-6-[({5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidène)méthyl]-2,4-diméthyl-1H-pyrrol-3-yl}carbonyl)amino]-3,5-dihydroxyhexanoyl}-3-morpholinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 916.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.5±3.0 kJ/mol
Flash Point: 507.8±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 139.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.93
ACD/LogD (pH 5.5): -1.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 181 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 71.5±3.0 dyne/cm
Molar Volume: 383.1±3.0 cm3

Click to predict properties on the Chemicalize site


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