ChemSpider 2D Image | [3,3'-{3-Formyl-8-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrien-1-yl]-7,12,17-trimethyl-13-vinyl-2,18-porphyrindiyl-kappa~4~N~21~,N~22~,N~23~,N~24~}dipropanoato(4-)]ferrate(2-) | C49H54FeN4O6

[3,3'-{3-Formyl-8-[(1S,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(4-)]ferrate(2-)

  • Molecular FormulaC49H54FeN4O6
  • Average mass850.822 Da
  • Monoisotopic mass850.340393 Da
  • ChemSpider ID128920394

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[3,3'-{3-Formyl-8-[(1S,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(4-)]ferrat(2-) [German] [ACD/IUPAC Name]
[3,3'-{3-Formyl-8-[(1S,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(4-)]ferrate(2-) [ACD/IUPAC Name]
[3,3'-{3-Formyl-8-[(1S,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(4-)]ferrate(2-) [French] [ACD/IUPAC Name]
Ferrate(2-), [7-ethenyl-17-formyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrien-1-yl]-3,8,13-trimethyl-21H,23H-porphine-2,18-dipropanoato(4-)-κN21,κN22,κN23,κN 24]- [ACD/Index Name]
ferroheme a

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: 132 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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