ChemSpider 2D Image | [(10Z)-13-{3-[(Diaminomethylene)amino]propyl}-9,12-dihydroxy-14-methyl-6,15-dioxo-6,7,8,9,14,15-hexahydro-5H-dibenzo[c,p][1,2,5,8,11,14]dithiatetraazacycloheptadecin-7-yl]acetic acid | C26H31N7O6S2

[(10Z)-13-{3-[(Diaminomethylene)amino]propyl}-9,12-dihydroxy-14-methyl-6,15-dioxo-6,7,8,9,14,15-hexahydro-5H-dibenzo[c,p][1,2,5,8,11,14]dithiatetraazacycloheptadecin-7-yl]acetic acid

  • Molecular FormulaC26H31N7O6S2
  • Average mass601.698 Da
  • Monoisotopic mass601.177734 Da
  • ChemSpider ID95636210

  • Double-bond stereo - Double-bond stereo

More details:

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

[(10Z)-13-{3-[(Diaminomethylen)amino]propyl}-9,12-dihydroxy-14-methyl-6,15-dioxo-6,7,8,9,14,15-hexahydro-5H-dibenzo[c,p][1,2,5,8,11,14]dithiatetraazacycloheptadecin-7-yl]essigsäure [German] [ACD/IUPAC Name]
[(10Z)-13-{3-[(Diaminomethylene)amino]propyl}-9,12-dihydroxy-14-methyl-6,15-dioxo-6,7,8,9,14,15-hexahydro-5H-dibenzo[c,p][1,2,5,8,11,14]dithiatetraazacycloheptadecin-7-yl]acetic acid [ACD/IUPAC Name]
5H-Dibenzo[c,p][1,2,5,8,11,14]dithiatetraazacycloheptadecine-7-acetic acid, 13-[3-[(diaminomethylene)amino]propyl]-6,7,8,9,14,15-hexahydro-9,12-dihydroxy-14-methyl-6,15-dioxo-, (10Z)- [ACD/Index Name]
Acide [(10Z)-13-{3-[(diaminométhylène)amino]propyl}-9,12-dihydroxy-14-méthyl-6,15-dioxo-6,7,8,9,14,15-hexahydro-5H-dibenzo[c,p][1,2,5,8,11,14]dithiatétraazacycloheptadécin-7-yl]acétique [French] [ACD/IUPAC 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: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.04
ACD/LogD (pH 5.5): -2.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 267 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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