Adenomycin
TL;DR: Adenomycin (CAS 76174-56-6) is a chemical compound with molecular formula C25H39N7O18S and molecular weight 757.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,3S,4S,5R,6R)-4-[(2R,3S,4R,5S,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3,5-dihydroxy-6-sulfooxycyclohexyl] (2S)-2-amino-3-hydroxypropanoate
Also Known As: Adenomycin, C19-97 Substance, Antibiotic C19-97, ADENOMYCIN [WHO-DD], HY-N14913
| Molecular Formula | C25H39N7O18S |
|---|---|
| Molecular Weight | 757.21 g/mol |
| LogP | -9.8 |
| Topological Polar Surface Area | 419.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 13 |
| Exact Mass | 757.2072 |
| Heavy Atoms | 51 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 76174-56-6 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@@H]([C@H]([C@H]([C@@H]4OC(=O)[C@H](CO)N)OS(=O)(=O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@@H](O5)CO)O)O)N)O)O)O)N |
| InChIKey | UXRHCHSWRDOIED-QVEOBRIHSA-N |
Product Overview
Adenomycin (CAS 76174-56-6), with molecular formula C25H39N7O18S and molecular weight 757.21 g/mol. IUPAC: [(1R,2S,3S,4S,5R,6R)-4-[(2R,3S,4R,5S,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3,5-dihydroxy-6-sulfooxycyclohexyl] (2S)-2-amino-3-hydroxypropanoate.
Chemical Property Profile of Adenomycin
Property Insights of Adenomycin
The XLogP value of -9.8 indicates that Adenomycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 419.0 Ų indicates high polarity, suggesting Adenomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenomycin has 12 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adenomycin?
The CAS number of Adenomycin is 76174-56-6.
What is the molecular formula of Adenomycin?
The molecular formula of Adenomycin is C25H39N7O18S.
What is the molecular weight of Adenomycin?
The molecular weight of Adenomycin is 757.21 g/mol.
Where can I buy Adenomycin?
You can request a quote for Adenomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenomycin?
Yes, KEHONG BIO provides custom synthesis services for Adenomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.