Betaclamycin A
TL;DR: Betaclamycin A (CAS 80307-08-0) is a chemical compound with molecular formula C40H51NO15 and molecular weight 785.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9R,10R)-7-[(2R,4S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-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 A, beta-Rmn-A, beta-Rhodomycin RDC, KST-1A8314, (9R,10R)-7-[(2R,4S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
| Molecular Formula | C40H51NO15 |
|---|---|
| Molecular Weight | 785.33 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 231.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 785.32587 |
| Heavy Atoms | 56 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 80307-08-0 |
|---|---|
| SMILES | CC[C@]1(CC(C2=C([C@H]1O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O[C@H]5C[C@@H](C([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O)N(C)C)O |
| InChIKey | OIAHYVPTZYBBFB-JKOIIKDVSA-N |
Product Overview
Betaclamycin A (CAS 80307-08-0), with molecular formula C40H51NO15 and molecular weight 785.33 g/mol. IUPAC: (9R,10R)-7-[(2R,4S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of Betaclamycin A
Property Insights of Betaclamycin A
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Betaclamycin A. The TPSA of 231.0 Ų indicates high polarity, suggesting Betaclamycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Betaclamycin A has 6 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Betaclamycin A?
The CAS number of Betaclamycin A is 80307-08-0.
What is the molecular formula of Betaclamycin A?
The molecular formula of Betaclamycin A is C40H51NO15.
What is the molecular weight of Betaclamycin A?
The molecular weight of Betaclamycin A is 785.33 g/mol.
Where can I buy Betaclamycin A?
You can request a quote for Betaclamycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Betaclamycin A?
Yes, KEHONG BIO provides custom synthesis services for Betaclamycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.