ChemSpider 2D Image | Mycobacillin | C65H85N13O30

Mycobacillin

  • Molecular FormulaC65H85N13O30
  • Average mass1528.439 Da
  • Monoisotopic mass1527.552490 Da
  • ChemSpider ID17327464
  • defined stereocentres - 13 of 13 defined stereocentres


More details:






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

18524-67-9 [RN]
Cyclo(L-alanyl-D-α-asparagyl-L-prolyl-D-α-asparagyl-D-α-glutamyl-L-tyrosyl-L-α-asparagyl-L-tyrosyl-L-seryl-D-α-asparagyl-L-leucyl-D-α-glutamyl-D-α-asparagyl) [German] [ACD/IUPAC Name]
Cyclo(L-alanyl-D-α-aspartyl-L-prolyl-D-α-aspartyl-D-α-glutamyl-L-tyrosyl-L-α-aspartyl-L-tyrosyl-L-seryl-D-α-aspartyl-L-leucyl-D-α-glutamyl-D-α-aspartyl) [ACD/Index Name] [ACD/IUPAC Name]
Cyclo(L-alanyl-D-α-aspartyl-L-prolyl-D-α-aspartyl-D-α-glutamyl-L-tyrosyl-L-α-aspartyl-L-tyrosyl-L-séryl-D-α-aspartyl-L-leucyl-D-α-glutamyl-D-α-aspartyl) [French] [ACD/IUPAC Name]
Mycobacillin [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 2105.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 373.3±3.0 kJ/mol
Flash Point: 1227.0±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 357.9±0.4 cm3
#H bond acceptors: 43
#H bond donors: 22
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: -9.04
ACD/LogD (pH 5.5): -17.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -18.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 691 Å2
Polarizability: 141.9±0.5 10-24cm3
Surface Tension: 97.9±5.0 dyne/cm
Molar Volume: 969.4±5.0 cm3

Click to predict properties on the Chemicalize site





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