ChemSpider 2D Image | ferroheme a | C49H56FeN4O6

ferroheme a

  • Molecular FormulaC49H56FeN4O6
  • Average mass852.837 Da
  • Monoisotopic mass852.354919 Da
  • ChemSpider ID21865245

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

[3,3'-{3-Formyl-8-[(4E,8E)-1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrien-1-yl]-7,12,17-trimethyl-13-vinyl-2,18-porphyrindiyl-κ4N21,N22,N23,N24}dipropanoato(2-)]eisen [German] [ACD/IUPAC Name]
[3,3'-{3-Formyl-8-[(4E,8E)-1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrien-1-yl]-7,12,17-trimethyl-13-vinyl-2,18-porphyrindiyl-κ4N21,N22,N23,N24}dipropanoato(2-)]iron [ACD/IUPAC Name]
[3,3'-{3-Formyl-8-[(4E,8E)-1-hydroxy-5,9,13-triméthyl-4,8,12-tétradécatrién-1-yl]-7,12,17-triméthyl-13-vinyl-2,18-porphyrinediyl-κ4N21,N22,N23,N24}dipropanato(2-)]fer [French] [ACD/IUPAC Name]
ferroheme a
Iron, [7-ethenyl-17-formyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrien-1-yl]-3,8,13-trimethyl-21H,23H-porphine-2,18-dipropanoato(2-)-κN21,κN22,κN23,κN24]- [ACD/Index Name]
(cytoporphyrinato)iron(II)
[3,3'-{7-ethenyl-17-formyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-3,8,13-trimethylporphyrin-2,18-diyl-κ(4)N(21),N(22),N(23),N(24)}dipropanoato(2-)]iron
1206306 [Beilstein]

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: 10
#H bond donors: 3
#Freely Rotating Bonds: 19
#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: 126 Å2
Polarizability:
Surface Tension:
Molar Volume:

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