Benanomicin A 4'''-sulfate
TL;DR: Benanomicin A 4'''-sulfate (CAS 139501-89-6) is a chemical compound with molecular formula C39H39NNa2O22S and molecular weight 951.148 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;2-[[5-[4-(3,4-dihydroxy-5-sulfonatooxyoxan-2-yl)oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoate
Also Known As: Benanomicin A 4'''-sulfate, D-Alanine, N-((5-((6-deoxy-3-O-(4-O-sulfo-beta-D-xylopyranosyl)-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, disodium salt, (5S-trans)-, disodium 2-[[5-[4-(3,4-dihydroxy-5-sulfonatooxyoxan-2-yl)oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoate
Technical Specifications
| Molecular Formula | C39H39NNa2O22S |
| Molecular Weight | 951.148 g/mol |
| XLogP | -8.68098 |
| Topological Polar Surface Area (TPSA) | 386.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 8 |
| Exact Mass | 951.148 Da |
| Heavy Atoms | 65 |
| Complexity | 1810.0 |
| SMILES | CC1C(C(C(C(O1)OC2C(C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NC(C)C(=O)[O-])C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)OC7C(C(C(CO7)OS(=O)(=O)[O-])O)O)O.[Na+].[Na+] |
| InChIKey | PJCMYMIMJNJMQX-UHFFFAOYSA-L |
Chemical Property Profile of Benanomicin A 4'''-sulfate
Property Insights of Benanomicin A 4'''-sulfate
The XLogP value of -8.68098 indicates that Benanomicin A 4'''-sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 386.0 Ų indicates high polarity, suggesting Benanomicin A 4'''-sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benanomicin A 4'''-sulfate has 9 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 Benanomicin A 4'''-sulfate?
The CAS number of Benanomicin A 4'''-sulfate is 139501-89-6.
What is the molecular formula of Benanomicin A 4'''-sulfate?
The molecular formula of Benanomicin A 4'''-sulfate is C39H39NNa2O22S.
What is the molecular weight of Benanomicin A 4'''-sulfate?
The molecular weight of Benanomicin A 4'''-sulfate is 951.148 g/mol.
Where can I buy Benanomicin A 4'''-sulfate?
You can request a quote for Benanomicin A 4'''-sulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benanomicin A 4'''-sulfate?
Yes, CoreyChem provides custom synthesis services for Benanomicin A 4'''-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.