ChemSpider 2D Image | {3,3'-[3,7,12,17-Tetramethyl-8,13-bis(1-sulfanylethyl)-2,18-porphyrindiyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron | C34H36FeN4O4S2

{3,3'-[3,7,12,17-Tetramethyl-8,13-bis(1-sulfanylethyl)-2,18-porphyrindiyl-κ4N21,N22,N23,N24]dipropanoato(2-)}iron

  • Molecular FormulaC34H36FeN4O4S2
  • Average mass684.649 Da
  • Monoisotopic mass684.152710 Da
  • ChemSpider ID26331983
  • Charge - Charge

    Double-bond stereo - Double-bond stereo


More details:






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

{3,3'-[3,7,12,17-Tetramethyl-8,13-bis(1-sulfanylethyl)-2,18-porphyrindiyl-κ4N21,N22,N23,N24]dipropanoato(2-)}eisen [German] [ACD/IUPAC Name]
{3,3'-[3,7,12,17-Tetramethyl-8,13-bis(1-sulfanylethyl)-2,18-porphyrindiyl-κ4N21,N22,N23,N24]dipropanoato(2-)}iron [ACD/IUPAC Name]
{3,3'-[3,7,12,17-Tétraméthyl-8,13-bis(1-sulfanyléthyl)-2,18-porphyrinediyl-κ4N21,N22,N23,N24]dipropanato(2-)}fer [French] [ACD/IUPAC Name]
Iron, [7,12-bis(1-mercaptoethyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(2-)-κN21,κN22,κN23,κN24]- [ACD/Index Name]
{3,3'-[3,7,12,17-tetramethyl-8,13-bis(1-sulfanylethyl)porphyrin-2,18-diyl-κ(4)N(21),N(22),N(23),N(24)]dipropanoato(2-)}iron
26598-29-8 [RN]
ferroheme c
heme C [Wiki]
  • Miscellaneous
    • Chemical Class:

      A ferroheme coordination complex bearing 1-sulfanylethyl substituents at the 8- and 13-positions. ChEBI CHEBI:60562

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

Density:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations:
ACD/LogP:
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: 166 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site





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