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

{3,3'-[(7R,8E)-3,7,12,17-Tetramethyl-13-[(1S)-1-sulfanylethyl]-8-(1-sulfanylethylidene)-7,8,22,24-tetrahydroporphyrin-2,18-diyl-κ4N21,N22,N23,N24]dipropanoato(4-)}iron

  • Molecular FormulaC34H36FeN4O4S2
  • Average mass684.649 Da
  • Monoisotopic mass684.152710 Da
  • ChemSpider ID61712614
  • 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'-[(7R,8E)-3,7,12,17-Tetramethyl-13-[(1S)-1-sulfanylethyl]-8-(1-sulfanylethyliden)-7,8,22,24-tetrahydroporphyrin-2,18-diyl-κ4N21,N22,N23,N24]dipropanoato(4-)}eisen [German] [ACD/IUPAC Name]
{3,3'-[(7R,8E)-3,7,12,17-Tetramethyl-13-[(1S)-1-sulfanylethyl]-8-(1-sulfanylethylidene)-7,8,22,24-tetrahydroporphyrin-2,18-diyl-κ4N21,N22,N23,N24]dipropanoato(4-)}iron [ACD/IUPAC Name]
{3,3'-[(7R,8E)-3,7,12,17-Tétraméthyl-13-[(1S)-1-sulfanyléthyl]-8-(1-sulfanyléthylidène)-7,8,22,24-tétrahydroporphyrine-2,18-diyl-κ4N21,N22,N23,N24]dipropanato(4-)}fer [French] [ACD/IUPAC Name]
Iron, [(7R,8E)-7,8,22,24-tetrahydro-13-[(1S)-1-mercaptoethyl]-8-(1-mercaptoethylidene)-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-κN21,κN22,κN23,κN24]- [ACD/Index Name]
HEC
heme C [Wiki]

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#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: 169 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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