醋竹桃霉素
TL;DR: 醋竹桃霉素 (CAS 2751-09-9) is a chemical compound with molecular formula C41H67NO15 and molecular weight 813.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
醋竹桃霉素
[(3R,5S,6S,7R,8S,9R,12R,13S,14R,15R)-6-[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-[(2R,4S,5S,6S)-5-acetyloxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-10,16-dioxo-1,11-dioxaspiro[2.13]hexadecan-14-yl] acetate
Also Known As: TROLEANDOMYCIN, Oleandocetin, Cyclamycin, Troleandomicina, Troleandomycine
| Molecular Formula | C41H67NO15 |
|---|---|
| Molecular Weight | 813.45 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 12 |
| Exact Mass | 813.45105 |
| Heavy Atoms | 57 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 2751-09-9 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C |
| InChIKey | LQCLVBQBTUVCEQ-GSELTXNRSA-N |
Product Overview
醋竹桃霉素 (CAS 2751-09-9), with molecular formula C41H67NO15 and molecular weight 813.45 g/mol. IUPAC: [(3R,5S,6S,7R,8S,9R,12R,13S,14R,15R)-6-[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-[(2R,4S,5S,6S)-5-acetyloxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-10,16-dioxo-1,11-dioxaspiro[2.13]hexadecan-14-yl] acetate.
Chemical Property Profile of 醋竹桃霉素
Property Insights of 醋竹桃霉素
The XLogP value of 4.3 indicates that 醋竹桃霉素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 184.0 Ų indicates high polarity, suggesting 醋竹桃霉素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 醋竹桃霉素 has 0 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 醋竹桃霉素?
The CAS number of 醋竹桃霉素 is 2751-09-9.
What is the molecular formula of 醋竹桃霉素?
The molecular formula of 醋竹桃霉素 is C41H67NO15.
What is the molecular weight of 醋竹桃霉素?
The molecular weight of 醋竹桃霉素 is 813.45 g/mol.
Where can I buy 醋竹桃霉素?
You can request a quote for 醋竹桃霉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 醋竹桃霉素?
Yes, KEHONG BIO provides custom synthesis services for 醋竹桃霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.