N-Acetylelsamicin A
TL;DR: N-Acetylelsamicin A (CAS 106544-47-2) is a chemical compound with molecular formula C35H37NO14 and molecular weight 695.2214 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[(8-hydroxy-15-methyl-10,17-dioxo-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaen-3-yl)oxy]-4,6-dimethyloxan-3-yl]oxy-5-hydroxy-4-methoxy-6-methyloxan-3-yl]acetamide
Also Known As: N-Acetylelsamicin A, mono-N-acetylelsamicin A, 6-Hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[h][1]benzopyrano[5,4,3-cde][1]benzopyran-10-yl 2-O-(2-acetamido-2,6-dideoxy-3-O-methyl-alpha-D-galactopyranosyl)-6-deoxy-3-C-methyl-beta-D-galactopyranoside, Benzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione, 10-((2-O-(2-(acetylamino)-2,6-dideoxy-3-O-methyl-alpha-D-galactopyranosyl)-6-deoxy-3-C-methyl-beta-D-galactopyranosyl)oxy)-6-hydroxy-1-methyl-, N-((2R,3R,4R,5S,6R)-2-((2S,3R,4S,5S,6R)-4,5-dihydroxy-2-((8-hydroxy-15-methyl-10,17-dioxo-11,18-dioxapentacyclo(10.6.2.02,7.09,19.016,20)icosa-1(19),2(7),3,5,8,12(20),13,15-octaen-3-yl)oxy)-4,6-dimethyloxan-3-yl)oxy-5-hydroxy-4-methoxy-6-methyloxan-3-yl)acetamide
Technical Specifications
| Molecular Formula | C35H37NO14 |
| Molecular Weight | 695.2214 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 209.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 695.2214 Da |
| Heavy Atoms | 50 |
| Complexity | 1320.0 |
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H](O[C@@H]([C@@H]([C@]2(C)O)O)C)OC3=CC=CC4=C3C5=C6C7=C(C=CC(=C7C(=O)O5)C)OC(=O)C6=C4O)NC(=O)C)OC)O |
| InChIKey | GWXIRWREUUJNER-OTYLROTQSA-N |
Chemical Property Profile of N-Acetylelsamicin A
Property Insights of N-Acetylelsamicin A
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetylelsamicin A. The TPSA of 209.0 Ų indicates high polarity, suggesting N-Acetylelsamicin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Acetylelsamicin A has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-Acetylelsamicin A?
The CAS number of N-Acetylelsamicin A is 106544-47-2.
What is the molecular formula of N-Acetylelsamicin A?
The molecular formula of N-Acetylelsamicin A is C35H37NO14.
What is the molecular weight of N-Acetylelsamicin A?
The molecular weight of N-Acetylelsamicin A is 695.2214 g/mol.
Where can I buy N-Acetylelsamicin A?
You can request a quote for N-Acetylelsamicin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Acetylelsamicin A?
Yes, CoreyChem provides custom synthesis services for N-Acetylelsamicin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.