ChemSpider 2D Image | Cyclo(D-alloisoleucyl-L-lysyl-L-tyrosylglycylglycyl-L-phenylalanyl) | C34H47N7O7

Cyclo(D-alloisoleucyl-L-lysyl-L-tyrosylglycylglycyl-L-phenylalanyl)

  • Molecular FormulaC34H47N7O7
  • Average mass665.780 Da
  • Monoisotopic mass665.353699 Da
  • ChemSpider ID113065

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

Cyclo(D-alloisoleucyl-L-lysyl-L-tyrosylglycylglycyl-L-phenylalanyl) [ACD/Index Name] [ACD/IUPAC Name]
Cyclo(D-alloisoleucyl-L-lysyl-L-tyrosylglycylglycyl-L-phenylalanyl) [German] [ACD/IUPAC Name]
Cyclo(D-alloisoleucyl-L-lysyl-L-tyrosylglycylglycyl-L-phénylalanyl) [French] [ACD/IUPAC Name]
(3S,6S,9R,12S)-6-(4-AMINOBUTYL)-12-BENZYL-3-[(4-HYDROXYPHENYL)METHYL]-9-(SEC-BUTYL)-1,4,7,10,13,16-HEXAAZACYCLOOCTADECANE-2,5,8,11,14,17-HEXONE
99764-53-1 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1124.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 171.4±3.0 kJ/mol
Flash Point: 634.1±34.3 °C
Index of Refraction: 1.531
Molar Refractivity: 177.1±0.3 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.22
ACD/LogD (pH 5.5): -2.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 221 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 572.4±3.0 cm3

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