Betaclamycin B
TL;DR: Betaclamycin B (CAS 143413-62-1) is a chemical compound with molecular formula C40H49NO15 and molecular weight 783.31024 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Betaclamycin B, 7-[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione, (7R-(7alpha,8beta,10beta))-10-(((2''',3''-Anhydro)-O-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulos-1-yl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-heoxpyranosyl)oxy)-8-ethyl-7,8,9,10-tetrahydro-1,6,7,8,11-pentahydroxy-5,12-naphthacenedione, 5,12-Naphthacenedione, 10-(((2''',3''-anhydro)-O-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulos-1-yl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-heoxpyranosyl)oxy)-8-ethyl-7,8,9,10-tetrahydro-1,6,7,8,11-pentahydroxy-, (7R-(7alpha,8beta,10beta))-
Technical Specifications
| Molecular Formula | C40H49NO15 |
| Molecular Weight | 783.31024 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 220.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 6 |
| Exact Mass | 783.31024 Da |
| Heavy Atoms | 56 |
| Complexity | 1500.0 |
| SMILES | CCC1(CC(C2=C(C1O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)OC5CC(C(C(O5)C)OC6CC7C(C(O6)C)OC8C(O7)CC(=O)C(O8)C)N(C)C)O |
| InChIKey | GOYNNCPGHOBFCK-UHFFFAOYSA-N |
Chemical Property Profile of Betaclamycin B
Property Insights of Betaclamycin B
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Betaclamycin B. The TPSA of 220.0 Ų indicates high polarity, suggesting Betaclamycin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Betaclamycin B has 5 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Betaclamycin B?
The CAS number of Betaclamycin B is 143413-62-1.
What is the molecular formula of Betaclamycin B?
The molecular formula of Betaclamycin B is C40H49NO15.
What is the molecular weight of Betaclamycin B?
The molecular weight of Betaclamycin B is 783.31024 g/mol.
Where can I buy Betaclamycin B?
You can request a quote for Betaclamycin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Betaclamycin B?
Yes, CoreyChem provides custom synthesis services for Betaclamycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.