Found 1 result

Search term: SBIZXCKDTDLJHC-NBGFENBTSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Cyclo[3-(1-naphthyl)-L-alanyl-D-tryptophyl-4-fluoro-L-phenylalanyl-D-threonyl-L-phenylalanyl-L-prolyl] | C51H52FN7O7

Cyclo[3-(1-naphthyl)-L-alanyl-D-tryptophyl-4-fluoro-L-phenylalanyl-D-threonyl-L-phenylalanyl-L-prolyl]

  • Molecular FormulaC51H52FN7O7
  • Average mass894.000 Da
  • Monoisotopic mass893.391235 Da
  • ChemSpider ID23126381

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

Cyclo[3-(1-naphthalenyl)-L-alanyl-D-tryptophyl-4-fluoro-L-phenylalanyl-D-threonyl-L-phenylalanyl-L-prolyl] [ACD/Index Name]
Cyclo[3-(1-naphthyl)-L-alanyl-D-tryptophyl-4-fluor-L-phenylalanyl-D-threonyl-L-phenylalanyl-L-prolyl] [German] [ACD/IUPAC Name]
Cyclo[3-(1-naphthyl)-L-alanyl-D-tryptophyl-4-fluoro-L-phenylalanyl-D-threonyl-L-phenylalanyl-L-prolyl] [ACD/IUPAC Name]
Cyclo[3-(1-naphtyl)-L-alanyl-D-tryptophyl-4-fluoro-L-phénylalanyl-D-thréonyl-L-phénylalanyl-L-prolyl] [French] [ACD/IUPAC Name]
(5S,8R,11S,14R,17S,19aS)-5-Benzyl-11-(4-fluoro-benzyl)-8-((R)-1-hydroxy-ethyl)-14-(1H-indol-3-ylmethyl)-17-naphthalen-1-ylmethyl-tetradecahydro-3a,6,9,12,15,18-hexaaza-cyclopentacyclooctadecene-4,7,10,13,16,19-hexaone
CHEMBL281971

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1268.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 198.6±3.0 kJ/mol
Flash Point: 721.1±34.3 °C
Index of Refraction: 1.696
Molar Refractivity: 247.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 294.78
ACD/KOC (pH 5.5): 2037.00
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 294.77
ACD/KOC (pH 7.4): 2036.99
Polar Surface Area: 202 Å2
Polarizability: 98.1±0.5 10-24cm3
Surface Tension: 74.1±5.0 dyne/cm
Molar Volume: 643.3±5.0 cm3

Click to predict properties on the Chemicalize site


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