HuagongsheHuagongshe Chemistry Print Report · For research reference only
Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr
Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr
Identifiers & Physical Properties
| CAS No. | 142035-49-2 |
|---|---|
| Molecular formula | C45H67N9O19 |
| Average molar mass | 1,038.1 g/mol |
| Monoisotopic mass | 1,037.45532094 g/mol |
| SMILES | CC(=O)NC1C(OC(C)C(NC(=O)C(N)C(C)C)C(=O)NC(Cc2cnc[nH]2)C(=O)N2CCCC2C(=O)NCC(=O)NC(Cc2ccc(O)cc2)C(=O)O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O |
| InChIKey | RXJBJFGLMHMRTN-UHFFFAOYSA-N |
| PubChem CID | 3083349 |
Chemical & Physical Properties
| XLogP | -6.2 |
|---|---|
| Topological polar surface area | 436 |
| Hydrogen bond donors | 15 |
| Hydrogen bond acceptors | 21 |
| Rotatable bonds | 23 |
| Heavy atoms | 73 |
| Formal charge | 0 |
| Complexity | 1,880 |