ChemSpider 2D Image | {3,3'-[(7R,12R)-7,12-Bis(carboxymethyl)-13-hydroxy-3,7,12,17-tetramethyl-8-oxo-7,8,12,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron | C34H32FeN4O10

{3,3'-[(7R,12R)-7,12-Bis(carboxymethyl)-13-hydroxy-3,7,12,17-tetramethyl-8-oxo-7,8,12,24-tetrahydroporphyrin-2,18-diyl-κ4N21,N22,N23,N24]dipropanoato(4-)}iron

  • Molecular FormulaC34H32FeN4O10
  • Average mass712.484 Da
  • Monoisotopic mass712.146790 Da
  • ChemSpider ID64873369

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{3,3'-[(7R,12R)-7,12-Bis(carboxymethyl)-13-hydroxy-3,7,12,17-tetramethyl-8-oxo-7,8,12,24-tetrahydroporphyrin-2,18-diyl-κ4N21,N22,N23,N24]dipropanoato(4-)}eisen [German] [ACD/IUPAC Name]
{3,3'-[(7R,12R)-7,12-Bis(carboxymethyl)-13-hydroxy-3,7,12,17-tetramethyl-8-oxo-7,8,12,24-tetrahydroporphyrin-2,18-diyl-κ4N21,N22,N23,N24]dipropanoato(4-)}iron [ACD/IUPAC Name]
{3,3'-[(7R,12R)-7,12-Bis(carboxyméthyl)-13-hydroxy-3,7,12,17-tétraméthyl-8-oxo-7,8,12,24-tétrahydroporphyrine-2,18-diyl-κ4N21,N22,N23,N24]dipropanato(4-)}fer [French] [ACD/IUPAC Name]
Iron, [(8R,13R)-8,13-bis(carboxymethyl)-8,12,13,24-tetrahydro-7-hydroxy-3,8,13,17-tetramethyl-12-oxo-21H,22H-porphine-2,18-dipropanoato(4-)-κN21,κN22,κN23,κN24]- [ACD/Index Name]
heme D

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: 14
#H bond donors: 5
#Freely Rotating Bonds: 11
#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: 204 Å2
Polarizability:
Surface Tension:
Molar Volume:

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