ChemSpider 2D Image | 3,3',3'',3'''-(3,8,13,17-Tetramethyl-2,7,12,18-porphyrintetrayl)tetrapropanoic acid | C36H38N4O8

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

  • Molecular FormulaC36H38N4O8
  • Average mass654.709 Da
  • Monoisotopic mass654.268982 Da
  • ChemSpider ID102876
  • Double-bond stereo - Double-bond stereo

More details:

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

3,3',3'',3'''-(3,8,13,17-Tetramethyl-2,7,12,18-porphyrintetrayl)tetrapropansäure [German] [ACD/IUPAC Name]
3,3',3'',3'''-[(1Z,7Z,12Z,17Z)-5,10,15,19-Tetramethyl-21,22,23,24-tetraazapentacyclo[,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16(22),17,19-undecaen-4,9,14,20-tetrayl]tetrapropansäure [German]
Acide 3,3',3'',3'''-(3,8,13,17-tétraméthyl-2,7,12,18-porphyrinetétrayl)tetrapropanoïque [French] [ACD/IUPAC Name]
Acide 3,3',3'',3'''-[(1Z,7Z,12Z,17Z)-5,10,15,19-tétraméthyl-21,22,23,24-tétraazapentacyclo[,6.18,11.113,16]tétracosa-1,3,5,7,9,11(23),12,14,16(22),17,19-undécaène-4,9,14,20-tétrayl]tétrapropanoïque [French]
71061-07-9 [RN]
Coproporphyrin III

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

AIDS058015 [DBID]
AIDS-058015 [DBID]
C05770 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1264.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 197.9±3.0 kJ/mol
Flash Point: 718.7±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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