ChemSpider 2D Image | Pentacarboxyl porphyrinogen III | C37H40N4O10

Pentacarboxyl porphyrinogen III

  • Molecular FormulaC37H40N4O10
  • Average mass700.734 Da
  • Monoisotopic mass700.274414 Da
  • ChemSpider ID13628281

  • Double-bond stereo - Double-bond stereo

More details:

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

Pentacarboxyl porphyrinogen III
21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3-(carboxymethyl)-15,16-dihydro-8,13,17-trimethyl- [ACD/Index Name]
3,3',3'',3'''-[3-(Carboxymethyl)-8,13,17-trimethyl-15,16-dihydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid [ACD/IUPAC Name]
3,3',3'',3'''-[3-(Carboxymethyl)-8,13,17-trimethyl-15,16-dihydroporphyrin-2,7,12,18-tetrayl]tetrapropansäure [German] [ACD/IUPAC Name]
Acide 3,3',3'',3'''-[3-(carboxyméthyl)-8,13,17-triméthyl-15,16-dihydroporphyrine-2,7,12,18-tétrayl]tetrapropanoïque [French] [ACD/IUPAC Name]
Pentacarboxylporphyrinogen III
Pentacarboxyporphyrinogen III
3-[10,15,20-tris(2-carboxyethyl)-19-(carboxymethyl)-5,9,14-trimethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,8,10,12,14,16(22),17,19-decaen-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, version: 14.00

Density: 1.5±0.0 g/cm3
Boiling Point: 1042.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 159.8±0.0 kJ/mol
Flash Point: 584.5±0.0 °C
Index of Refraction: 1.688
Molar Refractivity: 180.5±0.0 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.35
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: 239 Å2
Polarizability: 71.6±0.0 10-24cm3
Surface Tension: 61.0±0.0 dyne/cm
Molar Volume: 473.0±0.0 cm3

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