ChemSpider 2D Image | {3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-Tetrakis(carboxymethyl)-8,13,15-trimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~]tetrapropanoato(2-)}cobalt | C43H46CoN4O16

{3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-Tetrakis(carboxymethyl)-8,13,15-trimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-κ4N21,N22,N23,N24]tetrapropanoato(2-)}cobalt

  • Molecular FormulaC43H46CoN4O16
  • Average mass933.776 Da
  • Monoisotopic mass933.224060 Da
  • ChemSpider ID28639279

  • 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)-8,13,15-trimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-κ4N21,N22,N23,N24]tetrapropanoato(2-)}cobalt [German] [ACD/IUPAC Name]
{3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-Tetrakis(carboxymethyl)-8,13,15-trimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-κ4N21,N22,N23,N24]tetrapropanoato(2-)}cobalt [ACD/IUPAC Name]
{3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-Tétrakis(carboxyméthyl)-8,13,15-triméthyl-7,8,12,13-tétrahydroporphyrine-2,7,12,18-tétrayl-κ4N21,N22,N23,N24]tetrapropanato(2-)}cobalt [French] [ACD/IUPAC Name]
Cobalt, [(2S,3S,7S,8S)-3,8,12,18-tetrakis(carboxymethyl)-2,3,7,8-tetrahydro-3,8,10-trimethyl-21H,23H-porphine-2,7,13,17-tetrapropanoato(2-)-κN21,κN22,κN23,κN24]- [ACD/Index Name]
{3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13,15-trimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-κ(4)N(21),N(22),N(23),N(24)]tetrapropanoato(2-)}cobalt
cobalt(II)-factor III
Cobalt-factor III
  • Miscellaneous

    • Chemical Class:

      A metalloporphyrin obtained by formal dehydrogenation across positions 7 and 8 of cobalt-precorrin-3. ChEBI CHEBI:73373

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: 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: 313 Å2
Polarizability:
Surface Tension:
Molar Volume:

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