TL;DR: Sperabillin D (CAS 111465-40-8) is a chemical compound with molecular formula C16H29N5O3 and molecular weight 339.22705 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,5R,6R)-3-amino-N-(3-amino-3-iminopropyl)-6-[[(2E,4E)-hexa-2,4-dienoyl]amino]-5-hydroxyheptanamide
Also Known As: Sperabillin D, Sperabillin B, SperabillinD, Antibiotic TAN-749D, (3R,5R,6R)-3-amino-N-(3-amino-3-iminopropyl)-6-[[(2E,4E)-hexa-2,4-dienoyl]amino]-5-hydroxyheptanamide
| Molecular Formula | C16H29N5O3 |
| Molecular Weight | 339.22705 g/mol |
| XLogP | -1.5 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 339.22705 Da |
| Heavy Atoms | 24 |
| Complexity | 476.0 |
| SMILES | C/C=C/C=C/C(=O)N[C@H](C)[C@@H](C[C@H](CC(=O)NCCC(=N)N)N)O |
| InChIKey | HGBIYXQMCATWPJ-PXRNKZPESA-N |
The XLogP value of -1.5 indicates that Sperabillin D is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.0 Ų indicates high polarity, suggesting Sperabillin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sperabillin D has 6 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Sperabillin D is 111465-40-8.
The molecular formula of Sperabillin D is C16H29N5O3.
The molecular weight of Sperabillin D is 339.22705 g/mol.
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