Found 7 results

Search term: MF = 'C_{27}H_{48}N_{6}O_{9}'
ChemSpider 2D Image | (4E,15E,26E)-5,6,16,17,27,28-Hexahydroxy-1,6,12,17,23,28-hexaazacyclotritriaconta-4,15,26-triene-2,13,24-trione | C27H48N6O9

(4E,15E,26E)-5,6,16,17,27,28-Hexahydroxy-1,6,12,17,23,28-hexaazacyclotritriaconta-4,15,26-triene-2,13,24-trione

  • Molecular FormulaC27H48N6O9
  • Average mass600.705 Da
  • Monoisotopic mass600.348267 Da
  • ChemSpider ID95685085

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E,15E,26E)-5,6,16,17,27,28-Hexahydroxy-1,6,12,17,23,28-hexaazacyclotritriaconta-4,15,26-trien-2,13,24-trion [German] [ACD/IUPAC Name]
(4E,15E,26E)-5,6,16,17,27,28-Hexahydroxy-1,6,12,17,23,28-hexaazacyclotritriaconta-4,15,26-triene-2,13,24-trione [ACD/IUPAC Name]
(4E,15E,26E)-5,6,16,17,27,28-Hexahydroxy-1,6,12,17,23,28-hexaazacyclotritriaconta-4,15,26-triène-2,13,24-trione [French] [ACD/IUPAC Name]
1,6,12,17,23,28-Hexaazacyclotritriaconta-4,15,26-triene-2,13,24-trione, 5,6,16,17,27,28-hexahydroxy-, (4E,15E,26E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1037.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 171.7±6.0 kJ/mol
Flash Point: 581.0±34.3 °C
Index of Refraction: 1.539
Molar Refractivity: 154.0±0.3 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: -1.78
ACD/LogD (pH 5.5): -2.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.82
ACD/LogD (pH 7.4): -2.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.82
Polar Surface Area: 218 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 491.9±3.0 cm3

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