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

[3,3'-{3,7,12,17-Tetramethyl-8,13-bis[(1R)-1-sulfanylethyl]-2,18-porphyrindiyl-κ2N21,N23}dipropanoato(2-)]iron

  • Molecular FormulaC34H36FeN4O4S2
  • Average mass684.649 Da
  • Monoisotopic mass684.152710 Da
  • ChemSpider ID61715822

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[3,3'-{3,7,12,17-Tetramethyl-8,13-bis[(1R)-1-sulfanylethyl]-2,18-porphyrindiyl-κ2N21,N23}dipropanoato(2-)]eisen [German] [ACD/IUPAC Name]
[3,3'-{3,7,12,17-Tetramethyl-8,13-bis[(1R)-1-sulfanylethyl]-2,18-porphyrindiyl-κ2N21,N23}dipropanoato(2-)]iron [ACD/IUPAC Name]
[3,3'-{3,7,12,17-Tétraméthyl-8,13-bis[(1R)-1-sulfanyléthyl]-2,18-porphyrinediyl-κ2N21,N23}dipropanato(2-)]fer [French] [ACD/IUPAC Name]
Iron, [8,13-bis[(1R)-1-mercaptoethyl]-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(2-)-κN21,κN23]- [ACD/Index Name]
HEC
heme C [Wiki]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
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: 185 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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