ChemSpider 2D Image | Actinomycin D | C62H86N12O16

Actinomycin D

  • Molecular FormulaC62H86N12O16
  • Average mass1255.417 Da
  • Monoisotopic mass1254.628418 Da
  • ChemSpider ID10482167
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

Actinomycin D [JP15]
1155
1CC1JFE158
200-063-6 [EINECS]
2-amino-4,6-dimethyl-3-oxo-N,N'-bis[(6S,9R,10S,13R,18aS)-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-di(propan-2-yl)hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3H-phenoxazine-1,9-dicarboxamide
2-Amino-4,6-dimethyl-3-oxo-N,N'-bis[(6S,9R,10S,13R,18aS)-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3H-phe
2-amino-4,6-diméthyl-3-oxo-N,N'-bis[(6S,9R,10S,13R,18aS)-2,5,9-triméthyl-6,13-bis(1-méthyléthyl)-1,4,7,11,14-pentaoxohexadécahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatétraazacyclohexadécin-10-yl]-3H-phé
2-Amino-4,6-dimethyl-3-oxo-N,N'-bis[(6S,9R,10S,13R,18aS)-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3H-phenoxazin-1,9-dicarboxamid
2-amino-4,6-dimethyl-3-oxo-N,N'-bis[(6S,9R,10S,13R,18aS)-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3H-phenoxazine-1,9-dicarboxamide
2-amino-4,6-diméthyl-3-oxo-N,N'-bis[(6S,9R,10S,13R,18aS)-2,5,9-triméthyl-6,13-bis(1-méthyléthyl)-1,4,7,11,14-pentaoxohexadécahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatétraazacyclohexadécin-10-yl]-3H-phénoxazine-1,9-dicarboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

HBF 386 [DBID]
HSDB 3220 [DBID]
NCI-C04682 [DBID]
01815_FLUKA [DBID]
A1410_SIGMA [DBID]
A4262_SIGMA [DBID]
A9415_SIGMA [DBID]
AI3-26374 [DBID]
AIDS009885 [DBID]
AIDS-009885 [DBID]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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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