Desertomycin B
TL;DR: Desertomycin B (CAS 121890-43-5) is a chemical compound with molecular formula C62H111N3O21 and molecular weight 1233.771 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4R,5R)-5-[(2S,6S,8S,10R,11S,12R,13S,14S,16S,18S,20R,21R,24R,25S,28S,29S,34S,35S,36R,37S)-6,8,10,11,12,14,16,20,24,28,34,36-dodecahydroxy-13,18,23,25,29,35,37,41-octamethyl-42-oxo-21-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclodotetraconta-4,22,26,30,40-pentaen-2-yl]-4-hydroxyhexyl]guanidine
Also Known As: Desertomycin B, 2-[(4R,5R)-5-[(2S,4E,6S,8S,10R,11S,12R,13S,14S,16S,18S,20R,21R,24R,25S,26E,28S,29S,30E,34S,35S,36R,37S,40E)-6,8,10,11,12,14,16,20,24,28,34,36-dodecahydroxy-13,18,23,25,29,35,37,41-octamethyl-42-oxo-21-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclodotetraconta-4,22,26,30,40-pentaen-2-yl]-4-hydroxyhexyl]guanidine, 2-[(4R,5R)-5-[(2S,6S,8S,10R,11S,12R,13S,14S,16S,18S,20R,21R,24R,25S,28S,29S,34S,35S,36R,37S)-6,8,10,11,12,14,16,20,24,28,34,36-dodecahydroxy-13,18,23,25,29,35,37,41-octamethyl-42-oxo-21-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclodotetraconta-4,22,26,30,40-pentaen-2-yl]-4-hydroxyhexyl]guanidine, Guanidine, ((4R,5R)-5-((3E,7S,8R,9S,10S,13E,15S,16S,17E,19S,20R,21E,23S,24R,26S,28S,30S,31S,32R,33S,34R,36S,38S,39E,42S)-6,8,10,12,14,16,18,20,24,28,34,36-dodecahydroxy-21-(alpha-D-mannopyranosyloxy)-11,13,23,25,29,35,37,41-octamethyl-42-oxooxacyclodotetraconta-4,22,26,30,40-pentaen-2-yl)-4-hydroxyhexyl)-
Technical Specifications
| Molecular Formula | C62H111N3O21 |
| Molecular Weight | 1233.771 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 453.0 Ų |
| Hydrogen Bond Donors | 19 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 9 |
| Exact Mass | 1233.771 Da |
| Heavy Atoms | 86 |
| Complexity | 2100.0 |
| SMILES | C[C@H]1CCC=C(C(=O)O[C@@H](CC=C[C@H](C[C@@H](C[C@H]([C@@H]([C@@H]([C@H]([C@H](C[C@H](C[C@@H](C[C@H]([C@@H](C=C([C@@H]([C@H](C=C[C@@H]([C@H](C=CCC[C@@H]([C@@H]([C@@H]1O)C)O)C)O)C)O)C)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)C)O)O)C)O)O)O)O)O)[C@H](C)[C@@H](CCCN=C(N)N)O)C |
| InChIKey | NMTGTXIJDSPVTD-AYRNGKALSA-N |
Chemical Property Profile of Desertomycin B
Property Insights of Desertomycin B
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desertomycin B. The TPSA of 453.0 Ų indicates high polarity, suggesting Desertomycin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Desertomycin B has 19 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Desertomycin B?
The CAS number of Desertomycin B is 121890-43-5.
What is the molecular formula of Desertomycin B?
The molecular formula of Desertomycin B is C62H111N3O21.
What is the molecular weight of Desertomycin B?
The molecular weight of Desertomycin B is 1233.771 g/mol.
Where can I buy Desertomycin B?
You can request a quote for Desertomycin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Desertomycin B?
Yes, CoreyChem provides custom synthesis services for Desertomycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.