ChemSpider 2D Image | Hematoporphyrin | C34H38N4O6

Hematoporphyrin

  • Molecular FormulaC34H38N4O6
  • Average mass598.689 Da
  • Monoisotopic mass598.279114 Da
  • ChemSpider ID16739170

  • Double-bond stereo - Double-bond stereo

More details:

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

238-450-7 [EINECS]
3,3'-[7,12-Bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-2,18-porphyrindiyl]dipropansäure [German] [ACD/IUPAC Name]
Acide 3,3'-[7,12-bis(1-hydroxyéthyl)-3,8,13,17-tétraméthyl-2,18-porphyrinediyl]dipropanoïque [French] [ACD/IUPAC Name]
Hematoporphyrin [Wiki]
[14459-29-1] [RN]
1208096 [Beilstein]
604648 [Beilstein]
78957 [Beilstein]
haematoporphyrin
hematoporphyrin IX
More...

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

1208096; 604648; 78957 [DBID]
51240_FLUKA [DBID]
H5518_SIGMA [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A dicarboxylic acid that is protoporphyrin in which the vinyl groups at positions 7 and 12 are replaced by 1-hydroxyethyl groups. ChEBI CHEBI:36162

    • Bio Activity:

      Hematoporphyrin is a substrate for affinity chromatography of heme-binding proteins. MedChem Express
      Hematoporphyrin is a substrate for affinity chromatography of heme-binding proteins.; Target: Others; Hematoporphyrin is used for affinity chromatography of heme-binding proteins. MedChem Express HY-B0754
      Hematoporphyrin is a substrate for affinity chromatography of heme-binding proteins.;Target: Hematoporphyrin is used for affinity chromatography of heme-binding proteins. Hematoporphyrin is used in the characterization and synthesis of hematoporphyrin- and hematin-agarose [1]. MedChem Express HY-B0754
      Others MedChem Express HY-B0754

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1179.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 182.9±3.0 kJ/mol
Flash Point: 667.3±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 162.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 8
#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: 172 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 66.2±3.0 dyne/cm
Molar Volume: 450.6±3.0 cm3

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