ChemSpider 2D Image | Ternatin | C37H67N7O8

Ternatin

  • Molecular FormulaC37H67N7O8
  • Average mass737.970 Da
  • Monoisotopic mass737.505127 Da
  • ChemSpider ID9882259

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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148619-41-4 [RN]
Cyclo[N-methyl-D-alanyl-(3R)-3-hydroxy-D-leucyl-D-alloisoleucyl-N-methyl-L-alanyl-N-methyl-L-leucyl-L-leucyl-N-methyl-L-alanyl] [ACD/Index Name] [ACD/IUPAC Name]
Cyclo[N-methyl-D-alanyl-(3R)-3-hydroxy-D-leucyl-D-alloisoleucyl-N-methyl-L-alanyl-N-methyl-L-leucyl-L-leucyl-N-methyl-L-alanyl] [German] [ACD/Index Name] [ACD/IUPAC Name]
Cyclo[N-méthyl-D-alanyl-(3R)-3-hydroxy-D-leucyl-D-alloisoleucyl-N-méthyl-L-alanyl-N-méthyl-L-leucyl-L-leucyl-N-méthyl-L-alanyl] [French] [ACD/IUPAC Name]
Ternatin
()-ternatin
(-)-TERNATIN
(3S,6S,9S,12S,15R,18R,21R)-15-[(2S)-butan-2-yl]-18-[(1R)-1-hydroxy-2-methylpropyl]-1,3,4,10,12,13,21-heptamethyl-6,9-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone
cyclo [D-allo-Ile1-L-(NMe)Ala2-L-(NMe)Leu3-L-Leu4-L-(NMe)Ala5-D-(NMe)- Ala6-(2R,3R)-3-hydroxy-Leu7]
cyclo[N-methyl-L-alanyl-N-methyl-D-alanyl-(3R)-3-hydroxy-D-leucyl-D-alloisoleucyl-N-methyl-L-alanyl-N-methyl-L-leucyl-L-leucyl]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 985.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 162.8±6.0 kJ/mol
Flash Point: 549.7±34.3 °C
Index of Refraction: 1.465
Molar Refractivity: 198.3±0.3 cm3
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.55
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.36
ACD/KOC (pH 5.5): 43.33
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 43.33
Polar Surface Area: 189 Å2
Polarizability: 78.6±0.5 10-24cm3
Surface Tension: 31.7±3.0 dyne/cm
Molar Volume: 717.3±3.0 cm3

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