Heme D1
[CAS# 59948-35-5]

Identification

• Name: Heme D1
• Synonyms: Ferrate(4-), (13-(2-Carboxyethenyl)-17-(2-Carboxyethyl)-7,8-Dihydro-7,8-Bis(Hydroxymethyl)-7,8,12,18-Tetramethyl-21H,23H-Porphine-2,3-Dicarboxylato(6-)-N21,N22,N23,N24)-, Tetrahydrogen; Heme D(1)
• Molecular Formula: C₃₄H₃₀FeN₄O₁₀
• Molecular Weight: 710.48
• CAS Registry Number: 59948-35-5
• SMILES: N1=C3C(=O)C(C1=CC2=C(C(=C([N-]2)C=C5N=C(C=C4[N-]C(=C3)C(C4=O)(CC([O-])=O)C)C(=C5CCC([O-])=O)C)C=CC([O-])=O)C)(CC([O-])=O)C.[H+].[H+].[H+].[H+].[Fe++]
• InChI: 1S/C34H32N4O10.Fe/c1-15-17(5-7-27(39)40)21-10-22-18(6-8-28(41)42)16(2)20(36-22)11-25-33(3,13-29(43)44)32(48)24(38-25)12-26-34(4,14-30(45)46)31(47)23(37-26)9-19(15)35-21;/h6,8-12H,5,7,13-14H2,1-4H3,(H6,35,36,37,38,39,40,41,42,43,44,45,46,47,48);/q;+2/p-2
• InChIKey: YTCKFKAUGWIMPJ-UHFFFAOYSA-L

Properties

• Boiling point: 935.3°C at 760 mmHg (Cal.)
• Flash point: 519.4°C (Cal.)