ChemSpider 2D Image | 8-Amino-N,N'-bis[(6S,9S,10S,13R,18aS)-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]-7-hydroxy-3-imino-4,6-dimethyl-3 H-phenoxazine-1,9-dicarboxamide | C62H87N13O16

8-Amino-N,N'-bis[(6S,9S,10S,13R,18aS)-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]-7-hydroxy-3-imino-4,6-dimethyl-3 H-phenoxazine-1,9-dicarboxamide

  • Molecular FormulaC62H87N13O16
  • Average mass1270.432 Da
  • Monoisotopic mass1269.639404 Da
  • ChemSpider ID30809051

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3H-Phenoxazine-1,9-dicarboxamide, 8-amino-N1,N9-bis[(6S,9S,10S,13R,18aS)-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]oxatetraazacyclohe
 xadecin-10-yl]-7-hydroxy-3-imino-4,6-dimethyl- [ACD/Index Name]
8-Amino-N,N'-bis[(6S,9S,10S,13R,18aS)-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]-7-hydroxy-3-imino-4,6-dimethyl-3 H-phenoxazin-1,9-dicarboxamid [German] [ACD/IUPAC Name]
8-Amino-N,N'-bis[(6S,9S,10S,13R,18aS)-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]-7-hydroxy-3-imino-4,6-dimethyl-3 H-phenoxazine-1,9-dicarboxamide [ACD/IUPAC Name]
8-Amino-N,N'-bis[(6S,9S,10S,13R,18aS)-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]-7-hydroxy-3-imino-4,6-diméthyl-3 H-phénoxazine-1,9-dicarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1392.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 218.9±3.0 kJ/mol
Flash Point: 795.8±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 325.6±0.5 cm3
#H bond acceptors: 29
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.34
ACD/LogD (pH 5.5): -2.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 383 Å2
Polarizability: 129.1±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 877.3±7.0 cm3

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