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ChemSpider 2D Image | 2-Amino-N,N'-bis(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)-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide | C62H86N12O16

2-Amino-N,N'-bis(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)-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide

  • Molecular FormulaC62H86N12O16
  • Average mass1255.417 Da
  • Monoisotopic mass1254.628418 Da
  • ChemSpider ID1942

More details:

Date of deprecation: 16:22, Apr 26, 2016
Reason for deprecation: Deprecate record: Supposed to be Actinomycin D but is missing all stereochemistry.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

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  • Chemically impossible structures (eg. incorrect valence atoms)
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  • Poor depiction of a structure that is already in ChemSpider

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

2-Amino-N,N'-bis(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)-4,6-dimethyl-3-oxo-3H-phenoxazin-1,9-dicarboxamid [German] [ACD/IUPAC Name]
2-Amino-N,N'-bis(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)-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide [ACD/IUPAC Name]
2-Amino-N,N'-bis(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)-4,6-diméthyl-3-oxo-3H-phénoxazine-1,9-dicarboxamide [French] [ACD/IUPAC Name]
2-Amino-N,N'-bis[(11E)-11-hydroxy-6,13-diisopropyl-2,5,9-trimethyl-1,4,7,14-tetraoxo-2,3,4,5,6,7,9,10,13,14,16,17,18,18a-tetradecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-4 ,6-dimethyl-3-oxo-3H-phenoxazin-1,9-dicarboximidsäure [German] [ACD/IUPAC Name]
2-Amino-N,N'-bis[(11E)-11-hydroxy-6,13-diisopropyl-2,5,9-trimethyl-1,4,7,14-tetraoxo-2,3,4,5,6,7,9,10,13,14,16,17,18,18a-tetradecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-4 ,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboximidic acid [ACD/IUPAC Name]
3H-Phenoxazine-1,9-dicarboxamide, 2-amino-N1,N9-bis[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]-4,6-di
 methyl-3-oxo- [ACD/Index Name]
3H-Phenoxazine-1,9-dicarboxamide, 2-amino-N1,N9-bis[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]-4,6-dimethyl-3-oxo-
3H-Phenoxazine-1,9-dicarboximidic acid, 2-amino-4,6-dimethyl-3-oxo-N1,N9-bis[(11E)-2,3,4,5,6,7,9,10,13,14,16,17,18,18a-tetradecahydro-11-hydroxy-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,14-te ;traoxo-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]- [ACD/Index Name]
3H-phenoxazine-1,9-dicarboximidic acid, 2-amino-4,6-dimethyl-3-oxo-N1,N9-bis[(11E)-2,3,4,5,6,7,9,10,13,14,16,17,18,18a-tetradecahydro-11-hydroxy-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,14-tetraoxo-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-
Acide 2-amino-N,N'-bis[(11E)-11-hydroxy-6,13-diisopropyl-2,5,9-triméthyl-1,4,7,14-tétraoxo-2,3,4,5,6,7,9,10,13,14,16,17,18,18a-tétradécahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatétraazacyclohexadécin-10 -yl]-4,6-diméthyl-3-oxo-3H-phénoxazine-1,9-dicarboximidique [French] [ACD/IUPAC Name]
More...

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

AI3-26374 [DBID]
Bio1_000342 [DBID]
Bio1_000831 [DBID]
Bio1_001320 [DBID]
C06770 [DBID]
C1 [DBID]
CBiol_002056 [DBID]
CCRIS 9 [DBID]
CCRIS 937 [DBID]
D00214 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Anti-neoplastic antibiotic. Inhibits RNA polymerase and is a potent inducer of apoptosis. Tocris Bioscience 1229
      Enzymes Tocris Bioscience 1229
      Inhibits RNA polymerase Tocris Bioscience 1229
      Polymerases Tocris Bioscience 1229
      RNA/DNA Polymerase Tocris Bioscience 1229

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1386.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 211.5±3.0 kJ/mol
Flash Point: 792.1±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 323.7±0.5 cm3
#H bond acceptors: 28
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.03
ACD/LogD (pH 5.5): -2.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.21
ACD/LogD (pH 7.4): -2.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.18
Polar Surface Area: 356 Å2
Polarizability: 128.3±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 880.7±7.0 cm3

Click to predict properties on the Chemicalize site


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