Primary record
hemin
- CAS
- 16009-13-5
- PubChem CID
- 137262748
- SMILES
- CC\1=C(/C/2=C/C3=C(C(=C([N-]3)/C=C\4/C(=C(/C(=C/C5=C(C(=C([N-]5)/C=C1\[N-]2)C=C)C)/[N-]4)C=C)C)C)CCC(=O)O)CCC(=O)O.[Fe+5]
- Molecular Formula
- C34H32FeN4O4+
- Molecular Weight
- 616.499
- Exact Mass
- 616.1767
- InChI
- InChI=1S/C34H32N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42);/q-4;+5/b25-13-,26-13?,27-14?,28-15-,29-14-,30-15?,31-16?,32-16-;
- InChIKey
- GLDIYFUNQOTFFT-QPPPNFCJSA-N
- LogP
- 1.6956
- TPSA
- 131
Names and synonyms
- hemin
- 16009-13-5