ChemSpider 2D Image | 3,3',3''-(3,8,13,17-Tetramethyl-12-vinyl-2,7,18-porphyrintriyl)tripropanoic acid | C35H36N4O6

3,3',3''-(3,8,13,17-Tetramethyl-12-vinyl-2,7,18-porphyrintriyl)tripropanoic acid

  • Molecular FormulaC35H36N4O6
  • Average mass608.683 Da
  • Monoisotopic mass608.263489 Da
  • ChemSpider ID2339065

  • Double-bond stereo - Double-bond stereo

More details:

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

3,3',3''-(3,8,13,17-Tetramethyl-12-vinyl-2,7,18-porphyrintriyl)tripropansäure [German] [ACD/IUPAC Name]
3,3',3''-[(1Z,7Z,12Z,16Z)-5,10,15,19-Tetramethyl-14-vinyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4,9,20-triyl]tripropansäure [German]
Acide 3,3',3''-(3,8,13,17-tétraméthyl-12-vinyl-2,7,18-porphyrinetriyl)tripropanoïque [French] [ACD/IUPAC Name]
Acide 3,3',3''-[(1Z,7Z,12Z,16Z)-14-éthènyl-5,10,15,19-tétraméthyl-21,22,23,24-tétraazapentacyclo[16.2.1.13,6.18,11.113,16]tétracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undécaène-4,9,20-triyl]tripropanoïque [French]
29597-59-9 [RN]
30783-27-8 [RN]
4,6,7-Tris(2-carboxyethyl)-1,3,5,8-tetramethyl-2-vinylporphyrin
Harderoporphyrin

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1191.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 184.9±3.0 kJ/mol
Flash Point: 674.2±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 167.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 6.61
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: 169 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 461.1±3.0 cm3

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