ChemSpider 2D Image | Heptacarboxylporphyrin I | C39H38N4O14

Heptacarboxylporphyrin I

  • Molecular FormulaC39H38N4O14
  • Average mass786.737 Da
  • Monoisotopic mass786.238464 Da
  • ChemSpider ID13628138
  • Double-bond stereo - Double-bond stereo

More details:

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

Heptacarboxylporphyrin I
21H,23H-Porphine-2,7,12,17-tetrapropanoic acid, 3,8,13-tris(carboxymethyl)-18-methyl- [ACD/Index Name]
3,3',3'',3'''-[3,8,13-Tris(carboxymethyl)-18-methyl-2,7,12,17-porphyrintetrayl]tetrapropanoic acid [ACD/IUPAC Name]
3,3',3'',3'''-[3,8,13-Tris(carboxymethyl)-18-methyl-2,7,12,17-porphyrintetrayl]tetrapropansäure [German] [ACD/IUPAC Name]
65406-45-3 [RN]
8-Methyl-3,13,18-tris(carboxymethyl)-21H,23H-porphine-2,7,12,17-tetrapropanoic acid
Acide 3,3',3'',3'''-[3,8,13-tris(carboxyméthyl)-18-méthyl-2,7,12,17-porphyrinetétrayl]tetrapropanoïque [French] [ACD/IUPAC Name]
Heptacarboxylic acid porphyrin I
3-[9,14,19-tris(2-carboxyethyl)-10,15,20-tris(carboxymethyl)-5-methyl-21,22,23,24-tetraazapentacyclo[,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-4-yl]propanoic acid

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.0 g/cm3
Boiling Point: 1462.6±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 234.8±0.0 kJ/mol
Flash Point: 838.3±0.0 °C
Index of Refraction: 1.665
Molar Refractivity: 190.9±0.0 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 2.35
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: 318 Å2
Polarizability: 75.7±0.0 10-24cm3
Surface Tension: 86.5±0.0 dyne/cm
Molar Volume: 513.6±0.0 cm3

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