ChemSpider 2D Image | 12,18-didecarboxysirohaem | C40H44FeN4O12

12,18-didecarboxysirohaem

  • Molecular FormulaC40H44FeN4O12
  • Average mass828.642 Da
  • Monoisotopic mass828.230530 Da
  • ChemSpider ID58170281

  • 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)-8,13-Bis(carboxymethyl)-3,8,13,17-tetramethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-κ4N21,N22,N23,N24]tetrapropanoato(2-)}eisen [German] [ACD/IUPAC Name]
{3,3',3'',3'''-[(7S,8S,12S,13S)-8,13-Bis(carboxymethyl)-3,8,13,17-tetramethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-κ4N21,N22,N23,N24]tetrapropanoato(2-)}iron [ACD/IUPAC Name]
{3,3',3'',3'''-[(7S,8S,12S,13S)-8,13-Bis(carboxyméthyl)-3,8,13,17-tétraméthyl-7,8,12,13-tétrahydroporphyrine-2,7,12,18-tétrayl-κ4N21,N22,N23,N24]tetrapropanato(2-)}fer [French] [ACD/IUPAC Name]
12,18-didecarboxysirohaem
Iron, [(2S,3S,7S,8S)-3,8-bis(carboxymethyl)-2,3,7,8-tetrahydro-3,8,12,18-tetramethyl-21H,23H-porphine-2,7,13,17-tetrapropanoato(2-)-κN21,κN22,κN23,κN24]- [ACD/Index Name]
{3,3',3'',3'''-[(7S,8S,12S,13S)-8,13-bis(carboxymethyl)-3,8,13,17-tetramethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-κ(4)N(21),N(22),N(23),N(24)]tetra(propanoato)(2-)}iron
  • Miscellaneous

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: 16
#H bond donors: 6
#Freely Rotating Bonds: 16
#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: 238 Å2
Polarizability:
Surface Tension:
Molar Volume:

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