ChemSpider 2D Image | 2-{3-[(9E)-7-(2,2-Dihydroxyvinyl)-9-hydroxy-14-methyl-6,12,15-trioxo-6,7,8,11,12,13,14,15-octahydro-5H-dibenzo[c,p][1,2,5,8,11,14]dithiatetraazacycloheptadecin-13-yl]propyl}guanidine | C26H31N7O6S2

2-{3-[(9E)-7-(2,2-Dihydroxyvinyl)-9-hydroxy-14-methyl-6,12,15-trioxo-6,7,8,11,12,13,14,15-octahydro-5H-dibenzo[c,p][1,2,5,8,11,14]dithiatetraazacycloheptadecin-13-yl]propyl}guanidine

  • Molecular FormulaC26H31N7O6S2
  • Average mass601.698 Da
  • Monoisotopic mass601.177734 Da
  • ChemSpider ID95677826

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{3-[(9E)-7-(2,2-Dihydroxyvinyl)-9-hydroxy-14-methyl-6,12,15-trioxo-6,7,8,11,12,13,14,15-octahydro-5H-dibenzo[c,p][1,2,5,8,11,14]dithiatetraazacycloheptadecin-13-yl]propyl}guanidin [German] [ACD/IUPAC Name]
2-{3-[(9E)-7-(2,2-Dihydroxyvinyl)-9-hydroxy-14-methyl-6,12,15-trioxo-6,7,8,11,12,13,14,15-octahydro-5H-dibenzo[c,p][1,2,5,8,11,14]dithiatetraazacycloheptadecin-13-yl]propyl}guanidine [ACD/IUPAC Name]
2-{3-[(9E)-7-(2,2-Dihydroxyvinyl)-9-hydroxy-14-méthyl-6,12,15-trioxo-6,7,8,11,12,13,14,15-octahydro-5H-dibenzo[c,p][1,2,5,8,11,14]dithiatétraazacycloheptadécin-13-yl]propyl}guanidine [French] [ACD/IUPAC Name]
Guanidine, N''-[3-[(9E)-7-(2,2-dihydroxyethenyl)-6,7,8,11,12,13,14,15-octahydro-9-hydroxy-14-methyl-6,12,15-trioxo-5H-dibenzo[c,p][1,2,5,8,11,14]dithiatetraazacycloheptadecin-13-yl]propyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.704
Molar Refractivity: 155.3±0.5 cm3
#H bond acceptors: 13
#H bond donors: 10
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 0.90
ACD/LogD (pH 5.5): -1.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 67.7±7.0 dyne/cm
Molar Volume: 399.8±7.0 cm3

Click to predict properties on the Chemicalize site


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