Deprecated ChemSpider Record

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ChemSpider 2D Image | Hydrogen iron(2+) 3,3'-{12-[(4E,8E)-1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrien-1-yl]-3,8,13,17-tetramethyl-7-vinylporphine-21,23-diide-2,18-diyl}dipropanoate (2:1:1) | C49H58FeN4O5

Hydrogen iron(2+) 3,3'-{12-[(4E,8E)-1-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrien-1-yl]-3,8,13,17-tetramethyl-7-vinylporphine-21,23-diide-2,18-diyl}dipropanoate (2:1:1)

  • Molecular FormulaC49H58FeN4O5
  • Average mass838.854 Da
  • Monoisotopic mass838.375671 Da
  • ChemSpider ID4942880

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

Date of deprecation: 11:53, May 7, 2024
Reason for deprecation: Deprecate record:

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

Density:
Boiling Point: 1181.3±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 183.2±0.0 kJ/mol
Flash Point: 668.3±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 12.40
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: 141 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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