ChemSpider 2D Image | 3,3',3'',3'''-(3,8,13,17-Tetramethyl-2,7,12,18-porphyrintetrayl)tetra(2,2-~2~H_2_)propanoic acid | C36H30D8N4O8

3,3',3'',3'''-(3,8,13,17-Tetramethyl-2,7,12,18-porphyrintetrayl)tetra(2,2-2H2)propanoic acid

  • Molecular FormulaC36H30D8N4O8
  • Average mass662.758 Da
  • Monoisotopic mass662.319153 Da
  • ChemSpider ID128917459

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

21H,23H-Porphine-2,7,13,17-tetrapropanoic-α2,α2,α7,α7,α13,α13,α17,α17-d8 acid, 3,8,12,18-tetramethyl- [ACD/Index Name]
3,3',3'',3'''-(3,8,13,17-Tetramethyl-2,7,12,18-porphyrintetrayl)tetra(2,2-2H2)propanoic acid [ACD/IUPAC Name]
3,3',3'',3'''-(3,8,13,17-Tetramethyl-2,7,12,18-porphyrintetrayl)tetra(2,2-2H2)propansäure [German] [ACD/IUPAC Name]
Acide 3,3',3'',3'''-(3,8,13,17-tétraméthyl-2,7,12,18-porphyrinetétrayl)tetra(2,2-2H2)propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1258.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 196.7±3.0 kJ/mol
Flash Point: 714.6±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 172.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 5.75
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 207 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 479.1±3.0 cm3

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