泰万菌素
TL;DR: 泰万菌素 (CAS 63409-12-1) is a chemical compound with molecular formula C53H87NO19 and molecular weight 1041.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
泰万菌素
[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6R)-6-[[(4R,5S,6S,7R,9R,15R,16R)-4-acetyloxy-16-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
Also Known As: Aivlosin
| Molecular Formula | C53H87NO19 |
|---|---|
| Molecular Weight | 1041.59 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 251.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 19 |
| Exact Mass | 1041.5873 |
| Heavy Atoms | 73 |
| Complexity | 1860.0 |
Chemical Identifiers
| CAS Number | 63409-12-1 |
|---|---|
| SMILES | CC[C@@H]1[C@H](C=C(C=CC(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC |
| InChIKey | KCJJINQANFZSAM-QXNMQTIASA-N |
Product Overview
泰万菌素 (CAS 63409-12-1), with molecular formula C53H87NO19 and molecular weight 1041.59 g/mol. IUPAC: [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6R)-6-[[(4R,5S,6S,7R,9R,15R,16R)-4-acetyloxy-16-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate.
Chemical Property Profile of 泰万菌素
Property Insights of 泰万菌素
The XLogP value of 3.4 indicates that 泰万菌素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 251.0 Ų indicates high polarity, suggesting 泰万菌素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 泰万菌素 has 3 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 泰万菌素?
The CAS number of 泰万菌素 is 63409-12-1.
What is the molecular formula of 泰万菌素?
The molecular formula of 泰万菌素 is C53H87NO19.
What is the molecular weight of 泰万菌素?
The molecular weight of 泰万菌素 is 1041.59 g/mol.
Where can I buy 泰万菌素?
You can request a quote for 泰万菌素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 泰万菌素?
Yes, KEHONG BIO provides custom synthesis services for 泰万菌素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.