ChemSpider 2D Image | Cyclo[L-alpha-aspartyl-D-prolyl-(2R)-2-(2-thienyl)glycyl-D-leucyl-L-tryptophyl] | C32H38N6O7S

Cyclo[L-α-aspartyl-D-prolyl-(2R)-2-(2-thienyl)glycyl-D-leucyl-L-tryptophyl]

  • Molecular FormulaC32H38N6O7S
  • Average mass650.745 Da
  • Monoisotopic mass650.252258 Da
  • ChemSpider ID23213568

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Cyclo[L-α-asparagyl-D-prolyl-(2R)-2-(2-thienyl)glycyl-D-leucyl-L-tryptophyl] [German] [ACD/IUPAC Name]
Cyclo[L-α-aspartyl-D-prolyl-(2R)-2-(2-thienyl)glycyl-D-leucyl-L-tryptophyl] [ACD/Index Name] [ACD/IUPAC Name]
Cyclo[L-α-aspartyl-D-prolyl-(2R)-2-(2-thiényl)glycyl-D-leucyl-L-tryptophyl] [French] [ACD/IUPAC Name]
cyclo[L-α-aspartyl-D-prolyl-(2R)-2-(thiophen-2-yl)glycyl-D-leucyl-L-tryptophyl]
[(5S,8S,11R,14R,16aR)-8-(1H-Indol-3-ylmethyl)-11-isobutyl-4,7,10,13,16-pentaoxo-14-thiophen-2-yl-hexadecahydro-3a,6,9,12,15-pentaaza-cyclopentacyclopentadecen-5-yl]-acetic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL414165/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1123.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 173.3±3.0 kJ/mol
Flash Point: 633.3±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 170.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.38
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.11
ACD/LogD (pH 7.4): -2.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 74.7±5.0 dyne/cm
Molar Volume: 457.9±5.0 cm3

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