ChemSpider 2D Image | {3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-Tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-kappa~2~N~22~,N~24~]tetrapropanoato(2-)}iron | C42H44FeN4O16

{3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-Tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-κ2N22,N24]tetrapropanoato(2-)}iron

  • Molecular FormulaC42H44FeN4O16
  • Average mass916.661 Da
  • Monoisotopic mass916.210144 Da
  • ChemSpider ID30791450
  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

{3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-Tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-κ2N22,N24]tetrapropanoato(2-)}eisen [German] [ACD/IUPAC Name]
{3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-Tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-κ2N22,N24]tetrapropanoato(2-)}iron [ACD/IUPAC Name]
{3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-Tétrakis(carboxyméthyl)-8,13-diméthyl-7,8,12,13-tétrahydroporphyrine-2,7,12,18-tétrayl-κ2N22,N24]tetrapropanato(2-)}fer [French] [ACD/IUPAC Name]
Iron, [(2S,3S,7S,8S)-3,8,12,18-tetrakis(carboxymethyl)-2,3,7,8-tetrahydro-3,8-dimethyl-21H,23H-porphine-2,7,13,17-tetrapropanoato(2-)-κN21,κN23]- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 20
#H bond donors: 8
#Freely Rotating Bonds: 20
#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: 331 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site





Feedback Form