Showing Metabocard for Co-precorrin-6A (BASm0003935)
| Common Name | Co-precorrin-6a |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C44H45CoN4O16 |
| Average Mass | 944.79300 |
| Monoisotopic Mass | 944.22009 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | C[C@]1(CC(=O)[O-])C(CCC(=O)[O-])=C2C[C@@]3(C)C(CC(=O)[O-])=C(CCC(=O)[O-])C4=[N+]3[Co-2]35N6C(=CC1=[N+]23)[C@@H](CCC(=O)[O-])[C@](C)(CC(=O)[O-])[C@]6(C)C1=C(CC(=O)[O-])[C@@](C)(CCC(=O)[O-])C(=[N+]15)C4 |
| InChI Identifier | InChI=1S/C44H54N4O16.Co/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39;/h17,23H,6-16,18-20H2,1-5H3,(H9,45,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64);/q;+2/p-9/t23-,40-,41+,42+,43+,44+;/m1./s1 |
| InChI Key | DFFFCFUPOVLDTP-IICGDJHVSA-E |
| CHEBI ID | CHEBI:60064 |
| MiMeDB ID | MMDBc0055817 |
| 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 |