ChemSpider 2D Image | ACTINOMYCIN V | C62H84N12O17

ACTINOMYCIN V

  • Molecular FormulaC62H84N12O17
  • Average mass1269.401 Da
  • Monoisotopic mass1268.607788 Da
  • ChemSpider ID8661981

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

18865-48-0 [RN]
2-Amino-N1-[(6S,9R,10S,13R,18aS)-6,13-diisopropyl-2,5,9-trimethyl-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,18aS)-6,13-d ;iisopropyl-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-N1-[(6S,9R,10S,13R,18aS)-6,13-diisopropyl-2,5,9-triméthyl-1,4,7,11,14,17-hexaoxohexadécahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatétraazacyclohexadécin-10-yl]-N9-[(6S,9R,10S,13R,18aS)-6,13-d ;iisopropyl-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]
ACTINOMYCIN V
2-amino-4,6-dimethyl-3-oxo-1-N-[(7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-9-N-[(7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide
Actinomycin X2

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1411.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 216.1±3.0 kJ/mol
Flash Point: 807.4±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 324.5±0.5 cm3
#H bond acceptors: 29
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.86
ACD/LogD (pH 5.5): -3.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.43
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: 55.1±7.0 dyne/cm
Molar Volume: 877.8±7.0 cm3

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