ChemSpider 2D Image | loloatin B | C67H85N13O14

loloatin B

  • Molecular FormulaC67H85N13O14
  • Average mass1296.470 Da
  • Monoisotopic mass1295.633911 Da
  • ChemSpider ID10282516

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

Cyclo(L-α-asparagyl-L-tryptophyl-L-valyl-L-ornithyl-L-leucyl-D-tyrosyl-L-prolyl-L-phenylalanyl-D-phenylalanyl-L-asparaginyl) [German] [ACD/IUPAC Name]
Cyclo(L-α-aspartyl-L-tryptophyl-L-valyl-L-ornithyl-L-leucyl-D-tyrosyl-L-prolyl-L-phenylalanyl-D-phenylalanyl-L-asparaginyl) [ACD/Index Name] [ACD/IUPAC Name]
Cyclo(L-α-aspartyl-L-tryptophyl-L-valyl-L-ornithyl-L-leucyl-D-tyrosyl-L-prolyl-L-phénylalanyl-D-phénylalanyl-L-asparaginyl) [French] [ACD/IUPAC Name]
loloatin B
cyclic (L-asparaginyl-L-aspartyl-L-tryptophanyl-L-valyl-L-ornithyl-L-leucyl-D-tyrosyl-L-prolyl-L-phenylalanyl-D-phenylalanyl)
cyclo(L-asparaginyl-L-α-aspartyl-L-tryptophyl-L-valyl-L-ornithyl-L-leucyl-D-tyrosyl-L-prolyl-L-phenylalanyl-D-phenylalanyl) [ACD/Index Name] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL507336/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1670.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 276.5±3.0 kJ/mol
Flash Point: 964.0±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 346.3±0.4 cm3
#H bond acceptors: 27
#H bond donors: 16
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -0.32
ACD/LogD (pH 5.5): -1.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 425 Å2
Polarizability: 137.3±0.5 10-24cm3
Surface Tension: 77.0±5.0 dyne/cm
Molar Volume: 940.3±5.0 cm3

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