Showing Metabocard for Co-precorrin-5A (BASm0003933)
| Common Name | Co-precorrin-5a |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C45H45CoN4O16 |
| Average Mass | 956.80400 |
| Monoisotopic Mass | 956.22009 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC1OC(=O)C[C@@]2(C)[C@H](CCC(=O)[O-])C3=CC4=[N+]5C(=C(CCC(=O)[O-])[C@]4(C)CC(=O)[O-])C[C@@]4(C)C(CC(=O)[O-])=C(CCC(=O)[O-])C6=CC7=[N+]8C(=C(CC(=O)[O-])[C@@]7(C)CCC(=O)[O-])C12N3[Co-2]58N64 |
| InChI Identifier | InChI=1S/C45H54N4O16.Co/c1-21-45-40-26(15-37(60)61)41(2,13-12-35(56)57)30(47-40)16-27-22(6-9-32(50)51)25(14-36(58)59)44(5,48-27)18-29-23(7-10-33(52)53)42(3,19-38(62)63)31(46-29)17-28(49-45)24(8-11-34(54)55)43(45,4)20-39(64)65-21;/h16-17,21,24H,6-15,18-20H2,1-5H3,(H9,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-9/t21?,24-,41-,42+,43+,44+,45?;/m1./s1 |
| InChI Key | FMPRUTAGAUSVOA-IBAGIMPYSA-E |
| CHEBI ID | CHEBI:60062 |
| MiMeDB ID | MMDBc0055815 |
| State | Expected Solid |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |