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Mupirocin calcium structure
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Mupirocin calcium

TL;DR: Mupirocin calcium (CAS 115074-43-6) is a chemical compound with molecular formula C52H86CaO18 and molecular weight 1038.5441 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

calcium bis(9-[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)

Also Known As: Mupirocin calcium

CAS Number
115074-43-6
Molecular Formula
C52H86CaO18
Molecular Weight
1038.5441 g/mol
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Technical Specifications

Molecular FormulaC52H86CaO18
Molecular Weight1038.5441 g/mol
XLogP2.13
Topological Polar Surface Area (TPSA)298.0 Ų
Hydrogen Bond Donors6
Hydrogen Bond Acceptors18
Rotatable Bonds32
Exact Mass1038.5441 Da
Heavy Atoms71
Complexity689.0
SMILESC[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)CC(=CC(=O)OCCCCCCCCC(=O)[O-])C)[C@H](C)O.C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)CC(=CC(=O)OCCCCCCCCC(=O)[O-])C)[C@H](C)O.[Ca+2]
InChIKeyHAXVBVDETFUQGV-ALKLKMEASA-L

Chemical Property Profile of Mupirocin calcium

XLogP
2.13
TPSA (Topological Polar Surface Area)
298.0
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
18
Rotatable Bonds
32
Heavy Atoms
71
Complexity
689.0
Exact Mass
1038.5441
Monoisotopic Mass
1038.5441
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Mupirocin calcium

The XLogP value of 2.13 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mupirocin calcium. The TPSA of 298.0 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

What is the CAS number of Mupirocin calcium?

The CAS number of Mupirocin calcium is 115074-43-6.

What is the molecular formula of Mupirocin calcium?

The molecular formula of Mupirocin calcium is C52H86CaO18.

What is the molecular weight of Mupirocin calcium?

The molecular weight of Mupirocin calcium is 1038.5441 g/mol.

Where can I buy Mupirocin calcium?

You can request a quote for Mupirocin calcium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Mupirocin calcium?

Yes, CoreyChem provides custom synthesis services for Mupirocin calcium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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