ChemSpider 2D Image | siroheme | C42H44FeN4O16

siroheme

  • Molecular FormulaC42H44FeN4O16
  • Average mass916.661 Da
  • Monoisotopic mass916.210144 Da
  • ChemSpider ID21864916

  • 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-κ4N21,N22,N23,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-κ4N21,N22,N23,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-κ4N21,N22,N23,N24]tetrapropanato(2-)}fer [French] [ACD/IUPAC Name]
Iron, [(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-7,8,12,13-tetrahydro-8,13-dimethyl-21H,23H-porphine-2,7,12,18-tetrapropanoato(2-)-κN21,κN22,κN23,κN24]- [ACD/Index Name]
siroheme
[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-κN(21),κN(22),κN(23),κN(24)]tetrapropanoato(2-)]iron
52553-42-1 [RN]
sirohaem

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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