ChemSpider 2D Image | Methyl (6S,9S,12R,13S,17S,20R,21S)-13,21-dihydroxy-6,9-diisopropyl-2,17-dimethyl-4,7,10,15,18-pentaoxo-12,20-bis(trifluoromethyl)-5,8,11,16,19-pentaazatricosan-23-oate | C29H47F6N5O9

Methyl (6S,9S,12R,13S,17S,20R,21S)-13,21-dihydroxy-6,9-diisopropyl-2,17-dimethyl-4,7,10,15,18-pentaoxo-12,20-bis(trifluoromethyl)-5,8,11,16,19-pentaazatricosan-23-oate

  • Molecular FormulaC29H47F6N5O9
  • Average mass723.702 Da
  • Monoisotopic mass723.327820 Da
  • ChemSpider ID4449890

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(6S,9S,12R,13S,17S,20R,21S)-13,21-Dihydroxy-6,9-diisopropyl-2,17-diméthyl-4,7,10,15,18-pentaoxo-12,20-bis(trifluorométhyl)-5,8,11,16,19-pentaazatricosan-23-oate de méthyle [French] [ACD/IUPAC Name]
5,5,5-TRIFLUORO-3-HYDROXY-4-[2-(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-METHYL-2-[3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-PENTANOYLAMINO)-PROPIONYLAMINO]-PENTANOIC ACID METHYL ESTER
Methyl (6S,9S,12R,13S,17S,20R,21S)-13,21-dihydroxy-6,9-diisopropyl-2,17-dimethyl-4,7,10,15,18-pentaoxo-12,20-bis(trifluoromethyl)-5,8,11,16,19-pentaazatricosan-23-oate [ACD/IUPAC Name]
Methyl-(6S,9S,12R,13S,17S,20R,21S)-13,21-dihydroxy-6,9-diisopropyl-2,17-dimethyl-4,7,10,15,18-pentaoxo-12,20-bis(trifluormethyl)-5,8,11,16,19-pentaazatricosan-23-oat [German] [ACD/IUPAC Name]
5FE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 980.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.9±6.0 kJ/mol
Flash Point: 546.6±34.3 °C
Index of Refraction: 1.471
Molar Refractivity: 159.9±0.3 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 43.10
ACD/KOC (pH 5.5): 514.39
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 43.10
ACD/KOC (pH 7.4): 514.39
Polar Surface Area: 212 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 572.0±3.0 cm3

Click to predict properties on the Chemicalize site


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