Benanomicin B
TL;DR: Benanomicin B (CAS 116250-43-2) is a chemical compound with molecular formula C39H42N2O18 and molecular weight 826.2433 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-5-amino-3-hydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
Also Known As: Benanomicin B, Pradimicin C, ANTIBIOTIC BU-3608C, BU-3608C, HY-N15184
Technical Specifications
| Molecular Formula | C39H42N2O18 |
| Molecular Weight | 826.2433 g/mol |
| XLogP | -2.4 |
| Topological Polar Surface Area (TPSA) | 335.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 8 |
| Exact Mass | 826.2433 Da |
| Heavy Atoms | 59 |
| Complexity | 1590.0 |
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)N[C@H](C)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)N |
| InChIKey | IHIIRQILYAXIOH-NUVDETJMSA-N |
Chemical Property Profile of Benanomicin B
Property Insights of Benanomicin B
The XLogP value of -2.4 indicates that Benanomicin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 335.0 Ų indicates high polarity, suggesting Benanomicin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benanomicin B has 11 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benanomicin B?
The CAS number of Benanomicin B is 116250-43-2.
What is the molecular formula of Benanomicin B?
The molecular formula of Benanomicin B is C39H42N2O18.
What is the molecular weight of Benanomicin B?
The molecular weight of Benanomicin B is 826.2433 g/mol.
Where can I buy Benanomicin B?
You can request a quote for Benanomicin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benanomicin B?
Yes, CoreyChem provides custom synthesis services for Benanomicin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.