Verdohemochrome
3-[14-(2-carboxylatoethyl)-5,20-bis(ethenyl)-3-hydroxy-4,9,15,19-tetramethyl-2-oxa-22,24-diaza-21,23-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),4,6(24),7,9,11,13(22),14,16,18-decaen-10-yl]propanoate;hydron;iron(2+);bis(pyridine)
Also Known As: Verdohemochrome|3-[14-(2-carboxylatoethyl)-5,20-bis(ethenyl)-3-hydroxy-4,9,15,19-tetramethyl-2-oxa-22,24-diaza-21,23-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),4,6(24),7,9,11,13(22),14,16,18-decaen-10-yl]propanoate;hydron;iron(2+);pyridine
| Molecular Formula | C43H42FeN6O6 |
|---|---|
| Molecular Weight | 794.2515 g/mol |
| LogP | 2.82794 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 794.2515 |
| Monoisotopic Mass | 794.2515 |
| Heavy Atoms | 56 |
| Complexity | 1590.0 |
Chemical Identifiers
| CAS Number | 17567-74-7 |
|---|---|
| SMILES | [H+].[H+].CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)OC5(C(=C(C(=N5)C=C1[N-]2)C=C)C)O)C=C)C)C(=C3CCC(=O)[O-])C)CCC(=O)[O-].C1=CC=NC=C1.C1=CC=NC=C1.[Fe+2] |
| InChIKey | PPRKNKUFAWBGMY-UHFFFAOYSA-L |
Product Overview
Verdohemochrome (CAS 17567-74-7), with molecular formula C43H42FeN6O6 and molecular weight 794.2515 g/mol. IUPAC: 3-[14-(2-carboxylatoethyl)-5,20-bis(ethenyl)-3-hydroxy-4,9,15,19-tetramethyl-2-oxa-22,24-diaza-21,23-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),4,6(24),7,9,11,13(22),14,16,18-decaen-10-yl]propanoate;hydron;iron(2+);bis(pyridine).