ChemSpider 2D Image | Actinomycin Z3 | C62H83ClN12O18

Actinomycin Z3

  • Molecular FormulaC62H83ClN12O18
  • Average mass1319.845 Da
  • Monoisotopic mass1318.563721 Da
  • ChemSpider ID10235519

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

2-Amino-N1-[(6S,9S,10S,13R,16S,18aS)-9-(chlormethyl)-13-isopropyl-2,5,6,16-tetramethyl-1,4,7,11,14,17-hexaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-N9-[(6S,9R ,10S,13R,16S,18S,18aS)-18-hydroxy-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]-4,6-dimethyl-3-oxo-3H-phenoxazi ;n-1,9-dicarboxamid [German] [ACD/IUPAC Name]
2-Amino-N1-[(6S,9S,10S,13R,16S,18aS)-9-(chloromethyl)-13-isopropyl-2,5,6,16-tetramethyl-1,4,7,11,14,17-hexaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-N9-[(6S,9 R,10S,13R,16S,18S,18aS)-18-hydroxy-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]-4,6-dimethyl-3-oxo-3H-phenoxaz ;ine-1,9-dicarboxamide [ACD/IUPAC Name]
2-Amino-N1-[(6S,9S,10S,13R,16S,18aS)-9-(chlorométhyl)-13-isopropyl-2,5,6,16-tétraméthyl-1,4,7,11,14,17-hexaoxohexadécahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatétraazacyclohexadécin-10-yl]-N9-[(6S,9 R,10S,13R,16S,18S,18aS)-18-hydroxy-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]-4,6-diméthyl-3-oxo-3H-phénoxaz ;ine-1,9-dicarboxamide [French] [ACD/IUPAC Name]
3H-Phenoxazine-1,9-dicarboxamide, 2-amino-N1-[(6S,9S,10S,13R,16S,18aS)-9-(chloromethyl)hexadecahydro-2,5,6,16-tetramethyl-13-(1-methylethyl)-1,4,7,11,14,17-hexaoxo-1H-pyrrolo[2,1-i][1,4,7,10,13]oxat etraazacyclohexadecin-10-yl]-N9-[(6S,9R,10S,13R,16S,18S,18aS)-hexadecahydro-18-hydroxy-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]oxatetraazacycl ; ohexadecin-10-yl]-4,6-dimethyl-3-oxo- [ACD/Index Name]
Actinomycin Z3

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1449.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 232.2±3.0 kJ/mol
Flash Point: 830.3±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 330.0±0.5 cm3
#H bond acceptors: 30
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.68
ACD/LogD (pH 5.5): -3.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 393 Å2
Polarizability: 130.8±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 884.2±7.0 cm3

Click to predict properties on the Chemicalize site


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