Showing Metabocard for precorrin-4 (BASm0002949)
| Common Name | Precorrin-4 |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C44H52N4O17 |
| Average Mass | 908.91100 |
| Monoisotopic Mass | 908.33275 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC(=O)C12N/C(=C\C3=NC(=C(CCC(=O)[O-])[C@]3(C)CC(=O)[O-])Cc3[nH]c(c(CCC(=O)[O-])c3CC(=O)[O-])CC3=NC1=C(CC(=O)[O-])[C@@]3(C)CCC(=O)[O-])[C@@H](CCC(=O)[O-])[C@]2(C)CC(=O)[O-] |
| InChI Identifier | InChI=1S/C44H52N4O17/c1-20(49)44-40-25(14-37(60)61)41(2,12-11-35(56)57)30(47-40)16-27-21(5-8-32(50)51)22(13-36(58)59)26(45-27)15-28-23(6-9-33(52)53)42(3,18-38(62)63)31(46-28)17-29(48-44)24(7-10-34(54)55)43(44,4)19-39(64)65/h17,24,45,48H,5-16,18-19H2,1-4H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)/b29-17-/t24-,41-,42+,43+,44?/m1/s1 |
| InChI Key | IOBDBIPWYQGVMM-VLMJWMIZSA-N |
| CHEBI ID | CHEBI:57769 |
| State | Not Available |
| 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 |