ChemSpider 2D Image | Isocoproporphyrin | C36H38N4O8

Isocoproporphyrin

  • Molecular FormulaC36H38N4O8
  • Average mass654.709 Da
  • Monoisotopic mass654.268982 Da
  • ChemSpider ID148480
  • Double-bond stereo - Double-bond stereo


More details:






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

21H,23H-Porphine-2,7,18-tripropanoic acid, 3-(carboxymethyl)-12-ethyl-8,13,17-trimethyl- [ACD/Index Name]
3-(carboxymethyl)-12-ethyl-8,13,17-trimethyl- 21H,23H-porphine-2,7,18-tripropanoic acid
3,3',3''-[(1Z,7Z,12Z,16Z)-5-(Carboxymethyl)-14-ethyl-10,15,19-trimethyl-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]
3,3',3''-[(1Z,7Z,12Z,16Z)-5-(Carboxymethyl)-14-ethyl-10,15,19-trimethyl-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-undecaene-4,9,20-triyl]tripropanoic acid
3,3',3''-[3-(Carboxymethyl)-12-ethyl-8,13,17-trimethyl-2,7,18-porphyrintriyl]tripropanoic acid [ACD/IUPAC Name]
3,3',3''-[3-(Carboxymethyl)-12-ethyl-8,13,17-trimethyl-2,7,18-porphyrintriyl]tripropansäure [German] [ACD/IUPAC Name]
3,3',3''-[3-(Carboxymethyl)-12-ethyl-8,13,17-trimethylporphyrin-2,7,18-triyl]tripropanoic acid
36548-09-1 [RN]
Acide 3,3',3''-[(1Z,7Z,12Z,16Z)-5-(carboxyméthyl)-14-éthyl-10,15,19-triméthyl-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]
Acide 3,3',3''-[3-(carboxyméthyl)-12-éthyl-8,13,17-triméthyl-2,7,18-porphyrinetriyl]tripropanoïque [French] [ACD/IUPAC Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 1248.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 195.0±3.0 kJ/mol
Flash Point: 708.7±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 172.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 5.95
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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