Mupirocin Calcium
TL;DR: Mupirocin Calcium (CAS 104486-81-9) is a chemical compound with molecular formula C52H90CaO20 and molecular weight 1074.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium;bis(9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoate);dihydrate
Also Known As: Mupirocin calcium, Bactroban, Turixin, Mupirocin calcium dihydrate, mupirocin calcium hydrate
| Molecular Formula | C52H90CaO20 |
|---|---|
| Molecular Weight | 1074.57 g/mol |
| LogP | 0.4854 |
| Topological Polar Surface Area | 360.76 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 32 |
| Exact Mass | 1074.5652 |
| Heavy Atoms | 73 |
| Complexity | 1512.0474 |
Chemical Identifiers
| CAS Number | 104486-81-9 |
|---|---|
| SMILES | C[C@@H]([C@@H](O)C)[C@@H]1O[C@H]1C[C@@H]2[C@H]([C@H]([C@@H](OC2)C/C(=C/C(=O)OCCCCCCCCC(=O)[O-])/C)O)O.C[C@@H]([C@@H](O)C)[C@@H]1O[C@H]1C[C@@H]2[C@H]([C@H]([C@@H](OC2)C/C(=C/C(=O)OCCCCCCCCC(=O)[O-])/C)O)O.O.O.[Ca+2] |
Product Overview
Mupirocin Calcium (CAS 104486-81-9), with molecular formula C52H90CaO20 and molecular weight 1074.57 g/mol. IUPAC: calcium;bis(9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoate);dihydrate.
Chemical Property Profile of Mupirocin Calcium
Property Insights of Mupirocin Calcium
The XLogP value of 0.4854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mupirocin Calcium. The TPSA of 360.76 Ų indicates high polarity, suggesting Mupirocin Calcium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mupirocin Calcium has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mupirocin Calcium?
The CAS number of Mupirocin Calcium is 104486-81-9.
What is the molecular formula of Mupirocin Calcium?
The molecular formula of Mupirocin Calcium is C52H90CaO20.
What is the molecular weight of Mupirocin Calcium?
The molecular weight of Mupirocin Calcium is 1074.57 g/mol.
Where can I buy Mupirocin Calcium?
You can request a quote for Mupirocin Calcium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mupirocin Calcium?
Yes, KEHONG BIO provides custom synthesis services for Mupirocin Calcium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.