Capuramycin
TL;DR: Capuramycin (CAS 102770-00-3) is a chemical compound with molecular formula C23H31N5O12 and molecular weight 569.1969 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-[(3S)-2-oxoazepan-3-yl]-3,4-dihydro-2H-pyran-6-carboxamide
Also Known As: Capuramycin, Antibiotic 446S3-1, antibiotic 446-S3-1, A-500359 B, A-500359B
Technical Specifications
| Molecular Formula | C23H31N5O12 |
| Molecular Weight | 569.1969 g/mol |
| XLogP | -4.1 |
| Topological Polar Surface Area (TPSA) | 248.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 569.1969 Da |
| Heavy Atoms | 40 |
| Complexity | 1100.0 |
| SMILES | CO[C@H]1[C@H]([C@@H](O[C@@H]1[C@H](C(=O)N)O[C@@H]2[C@H]([C@H](C=C(O2)C(=O)N[C@H]3CCCCNC3=O)O)O)N4C=CC(=O)NC4=O)O |
| InChIKey | BISOEENGZHMDEO-RLXIHFJVSA-N |
Chemical Property Profile of Capuramycin
Property Insights of Capuramycin
The XLogP value of -4.1 indicates that Capuramycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 248.0 Ų indicates high polarity, suggesting Capuramycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Capuramycin has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Capuramycin?
The CAS number of Capuramycin is 102770-00-3.
What is the molecular formula of Capuramycin?
The molecular formula of Capuramycin is C23H31N5O12.
What is the molecular weight of Capuramycin?
The molecular weight of Capuramycin is 569.1969 g/mol.
Where can I buy Capuramycin?
You can request a quote for Capuramycin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Capuramycin?
Yes, CoreyChem provides custom synthesis services for Capuramycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.