ChemSpider 2D Image | 2-Amino-N~9~-[(6S,10S,13R,18aS)-6,13-diisopropyl-2,5,9,16-tetramethyl-1,4,7,11,14-pentaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-N~1~-[(6S,10S,13R,18aS)-13-isopro pyl-2,5,6,9,16-pentamethyl-1,4,7,11,14,17-hexaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide | C62H84N12O17

2-Amino-N9-[(6S,10S,13R,18aS)-6,13-diisopropyl-2,5,9,16-tetramethyl-1,4,7,11,14-pentaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-N1-[(6S,10S,13R,18aS)-13-isopro pyl-2,5,6,9,16-pentamethyl-1,4,7,11,14,17-hexaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide

  • Molecular FormulaC62H84N12O17
  • Average mass1269.401 Da
  • Monoisotopic mass1268.607788 Da
  • ChemSpider ID78445441

  • defined stereocentres - 8 of 12 defined stereocentres

More details:

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

2-Amino-N9-[(6S,10S,13R,18aS)-6,13-diisopropyl-2,5,9,16-tetramethyl-1,4,7,11,14-pentaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-N1-[(6S,10S,13R,18aS)-13-isopro ;pyl-2,5,6,9,16-pentamethyl-1,4,7,11,14,17-hexaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-4,6-dimethyl-3-oxo-3H-phenoxazin-1,9-dicarboxamid [German] [ACD/IUPAC Name]
2-Amino-N9-[(6S,10S,13R,18aS)-6,13-diisopropyl-2,5,9,16-tetramethyl-1,4,7,11,14-pentaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-N1-[(6S,10S,13R,18aS)-13-isopro ;pyl-2,5,6,9,16-pentamethyl-1,4,7,11,14,17-hexaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide [ACD/IUPAC Name]
2-Amino-N9-[(6S,10S,13R,18aS)-6,13-diisopropyl-2,5,9,16-tétraméthyl-1,4,7,11,14-pentaoxohexadécahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatétraazacyclohexadécin-10-yl]-N1-[(6S,10S,13R,18aS)-13-isopro ;pyl-2,5,6,9,16-pentaméthyl-1,4,7,11,14,17-hexaoxohexadécahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatétraazacyclohexadécin-10-yl]-4,6-diméthyl-3-oxo-3H-phénoxazine-1,9-dicarboxamide [French] [ACD/IUPAC Name]
3H-Phenoxazine-1,9-dicarboxamide, 2-amino-N1-[(6S,10S,13R,18aS)-hexadecahydro-2,5,6,9,16-pentamethyl-13-(1-methylethyl)-1,4,7,11,14,17-hexaoxo-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin -10-yl]-N9-[(6S,10S,13R,18aS)-hexadecahydro-2,5,9,16-tetramethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-4,6-dimethyl-3-oxo- [ACD/Index Name]
Actinomycin Z4

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1406.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 215.2±3.0 kJ/mol
Flash Point: 804.3±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 324.3±0.5 cm3
#H bond acceptors: 29
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -4.76
ACD/LogD (pH 5.5): -3.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 373 Å2
Polarizability: 128.6±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 877.0±7.0 cm3

Click to predict properties on the Chemicalize site


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