ChemSpider 2D Image | 3,3',3'',3'''-[3,8,13,17-Tetrakis(2,2-dihydroxyvinyl)-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrakis(1-propene-1,1-diol) | C40H44N4O16

3,3',3'',3'''-[3,8,13,17-Tetrakis(2,2-dihydroxyvinyl)-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrakis(1-propene-1,1-diol)

  • Molecular FormulaC40H44N4O16
  • Average mass836.795 Da
  • Monoisotopic mass836.275208 Da
  • ChemSpider ID95709863

More details:

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

1-Propene-1,1-diol, 3,3',3'',3'''-[3,8,13,17-tetrakis(2,2-dihydroxyethenyl)-5,10,15,20,22,24-hexahydro-21H,23H-porphine-2,7,12,18-tetrayl]tetrakis- [ACD/Index Name]
3,3',3'',3'''-[3,8,13,17-Tetrakis(2,2-dihydroxyvinyl)-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrakis(1-propen-1,1-diol) [German] [ACD/IUPAC Name]
3,3',3'',3'''-[3,8,13,17-Tetrakis(2,2-dihydroxyvinyl)-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrakis(1-propene-1,1-diol) [ACD/IUPAC Name]
3,3',3'',3'''-[3,8,13,17-Tétrakis(2,2-dihydroxyvinyl)-5,10,15,20,22,24-hexahydroporphyrine-2,7,12,18-tétrayl]tétrakis(1-propène-1,1-diol) [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1529.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 248.0±3.0 kJ/mol
Flash Point: 879.0±34.3 °C
Index of Refraction: 1.897
Molar Refractivity: 219.8±0.3 cm3
#H bond acceptors: 20
#H bond donors: 20
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.50
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.31
ACD/LogD (pH 7.4): -1.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.31
Polar Surface Area: 387 Å2
Polarizability: 87.1±0.5 10-24cm3
Surface Tension: 129.1±3.0 dyne/cm
Molar Volume: 473.5±3.0 cm3

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