ChemSpider 2D Image | N-[(2-Amino-9-{[(6S,9S,10R,13R,18aR)-6,13-diisopropyl-2,5,9-trimethyl-1,4,7,11,14-pentaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]carbamoyl}-4,6-dimethyl-3-oxo-3H-p henoxazin-1-yl)carbonyl]-D-threonyl-D-valyl-D-prolyl-N-methylglycyl-N-methyl-L-valine | C62H88N12O17

N-[(2-Amino-9-{[(6S,9S,10R,13R,18aR)-6,13-diisopropyl-2,5,9-trimethyl-1,4,7,11,14-pentaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]carbamoyl}-4,6-dimethyl-3-oxo-3H-p henoxazin-1-yl)carbonyl]-D-threonyl-D-valyl-D-prolyl-N-methylglycyl-N-methyl-L-valine

  • Molecular FormulaC62H88N12O17
  • Average mass1273.432 Da
  • Monoisotopic mass1272.639038 Da
  • ChemSpider ID78443166

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

L-Valine, N-[[2-amino-9-[[[(6S,9S,10R,13R,18aR)-hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]amino]carbonyl] -4,6-dimethyl-3-oxo-3H-phenoxazin-1-yl]carbonyl]-D-threonyl-D-valyl-D-prolyl-N-methylglycyl-N-methyl- [ACD/Index Name]
N-[(2-Amino-9-{[(6S,9S,10R,13R,18aR)-6,13-diisopropyl-2,5,9-trimethyl-1,4,7,11,14-pentaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]carbamoyl}-4,6-dimethyl-3-oxo-3H-p henoxazin-1-yl)carbonyl]-D-threonyl-D-valyl-D-prolyl-N-methylglycyl-N-methyl-L-valin [German] [ACD/IUPAC Name]
N-[(2-Amino-9-{[(6S,9S,10R,13R,18aR)-6,13-diisopropyl-2,5,9-trimethyl-1,4,7,11,14-pentaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]carbamoyl}-4,6-dimethyl-3-oxo-3H-p henoxazin-1-yl)carbonyl]-D-threonyl-D-valyl-D-prolyl-N-methylglycyl-N-methyl-L-valine [ACD/IUPAC Name]
N-[(2-Amino-9-{[(6S,9S,10R,13R,18aR)-6,13-diisopropyl-2,5,9-triméthyl-1,4,7,11,14-pentaoxohexadécahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatétraazacyclohexadécin-10-yl]carbamoyl}-4,6-diméthyl-3-oxo-3H-p hénoxazin-1-yl)carbonyl]-D-thréonyl-D-valyl-D-prolyl-N-méthylglycyl-N-méthyl-L-valine [French] [ACD/IUPAC Name]
Actinomycin monolactone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1383.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 219.8±3.0 kJ/mol
Flash Point: 790.7±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 326.5±0.5 cm3
#H bond acceptors: 29
#H bond donors: 8
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -2.12
ACD/LogD (pH 5.5): -3.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 387 Å2
Polarizability: 129.4±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 897.1±7.0 cm3

Click to predict properties on the Chemicalize site


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