ChemSpider 2D Image | 6,11,22,27,34,39-Hexaoxo-5,12,21,28,33,40-hexaazaheptacyclo[15.14.10.2~7,10~.2~23,26~.2~35,38~.1~3,30~.0~14,19~]octatetraconta-1,3(44),7,9,14,16,18,23,25,30,35,37,42,45,47-pentadecaene-8,9,24,25,36,37 -hexolate | C42H30N6O12

6,11,22,27,34,39-Hexaoxo-5,12,21,28,33,40-hexaazaheptacyclo[15.14.10.27,10.223,26.235,38.13,30.014,19]octatetraconta-1,3(44),7,9,14,16,18,23,25,30,35,37,42,45,47-pentadecaene-8,9,24,25,36,37 -hexolate

  • Molecular FormulaC42H30N6O12
  • Average mass810.724 Da
  • Monoisotopic mass810.195435 Da
  • ChemSpider ID95687178

  • Charge - Charge

More details:

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

6,11,22,27,34,39-Hexaoxo-5,12,21,28,33,40-hexaazaheptacyclo[15.14.10.27,10.223,26.235,38.13,30.014,19]octatetraconta-1,3(44),7,9,14,16,18,23,25,30,35,37,42,45,47-pentadecaen-8,9,24,25,36,37- 
hexolat [German] [ACD/IUPAC Name]
6,11,22,27,34,39-Hexaoxo-5,12,21,28,33,40-hexaazaheptacyclo[15.14.10.27,10.223,26.235,38.13,30.014,19]octatetraconta-1,3(44),7,9,14,16,18,23,25,30,35,37,42,45,47-pentadecaene-8,9,24,25,36,37 
-hexolate [ACD/IUPAC Name]
6,11,22,27,34,39-Hexaoxo-5,12,21,28,33,40-hexaazaheptacyclo[15.14.10.27,10.223,26.235,38.13,30.014,19]octatétraconta-1,3(44),7,9,14,16,18,23,25,30,35,37,42,45,47-pentadécaène-8,9,24,25,36,37 
-hexolate [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 12
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 79.91
ACD/KOC (pH 5.5): 797.29
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 20.32
ACD/KOC (pH 7.4): 202.77
Polar Surface Area: 313 Å2
Polarizability:
Surface Tension:
Molar Volume:

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