ChemSpider 2D Image | N-({(3S,6S,9S,15R)-3,12-Di[(2S)-2-butanyl]-6,9-bis[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl}carbamoyl)-L-tyrosine | C49H67N7O11

N-({(3S,6S,9S,15R)-3,12-Di[(2S)-2-butanyl]-6,9-bis[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl}carbamoyl)-L-tyrosine

  • Molecular FormulaC49H67N7O11
  • Average mass930.097 Da
  • Monoisotopic mass929.489868 Da
  • ChemSpider ID78438603

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

L-Tyrosine, N-[[[(3S,6S,9S,15R)-6,9-bis[2-(4-hydroxyphenyl)ethyl]-7-methyl-3,12-bis[(1S)-1-methylpropyl]-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadec-15-yl]amino]carbonyl]- [ACD/Index Name]
N-({(3S,6S,9S,15R)-3,12-Di[(2S)-2-butanyl]-6,9-bis[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl}carbamoyl)-L-tyrosin [German] [ACD/IUPAC Name]
N-({(3S,6S,9S,15R)-3,12-Di[(2S)-2-butanyl]-6,9-bis[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl}carbamoyl)-L-tyrosine [ACD/IUPAC Name]
N-({(3S,6S,9S,15R)-3,12-Di[(2S)-2-butanyl]-6,9-bis[2-(4-hydroxyphényl)éthyl]-7-méthyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadécan-15-yl}carbamoyl)-L-tyrosine [French] [ACD/IUPAC Name]
anabaenopeptin G

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1262.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 197.5±3.0 kJ/mol
Flash Point: 717.4±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 250.2±0.4 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.16
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 276 Å2
Polarizability: 99.2±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 710.0±5.0 cm3

Click to predict properties on the Chemicalize site


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