ChemSpider 2D Image | [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-1,24-dihydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~}dipropanoato(3-)]ferrate(1-
) | C49H57FeN4O6

[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-1,24-dihydroporphyrin-2,18-diyl-κ4N21,N22,N23,N24}dipropanoato(3-)]ferrate(1- )

  • Molecular FormulaC49H57FeN4O6
  • Average mass853.846 Da
  • Monoisotopic mass853.363281 Da
  • ChemSpider ID21106444
  • 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-1,24-dihydroporphyrin-2,18-diyl-κ4N21,N22,N23,N24}dipropanoato(3-)]ferrat(1-) [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-1,24-dihydroporphyrin-2,18-diyl-κ4N21,N22,N23,N24}dipropanoato(3-)]ferrate(1- ) [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-1,24-dihydroporphyrine-2,18-diyl-κ4N21,N22,N23,N24}dipropanato(3-)]ferrate(1- ) [French] [ACD/IUPAC Name]
Ferrate(1-), [13-ethenyl-3-formyl-1,24-dihydro-8-[(4E,8E)-1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrien-1-yl]-7,12,17-trimethyl-21H,22H-porphine-2,18-dipropanoato(3-)-κN21,κN22,κN2 3,κN24]- [ACD/Index Name]

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: 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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