Adenophostin B
TL;DR: Adenophostin B (CAS 149091-93-0) is a chemical compound with molecular formula C18H28N5O19P3 and molecular weight 711.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R,6R)-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-5-hydroxy-3,4-diphosphonooxyoxan-2-yl]methyl acetate
Also Known As: Adenophostin B, [(2R,3R,4R,5R,6R)-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-5-hydroxy-3,4-diphosphonooxyoxan-2-yl]methyl acetate, [(2R,3R,4R,5R)-3-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3-hydroxy-4,5-d iphosphonooxy-oxan-2-yl]oxy-5, 2'-Adenylic acid, 3'-O-(6-O-acetyl-3,4-di-O-phosphono-alpha-D-glucopyranosyl)-
| Molecular Formula | C18H28N5O19P3 |
|---|---|
| Molecular Weight | 711.06 g/mol |
| LogP | -7.3 |
| Topological Polar Surface Area | 364.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 13 |
| Exact Mass | 711.05914 |
| Heavy Atoms | 45 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 149091-93-0 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=NC4=C(N=CN=C43)N)COP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O |
| InChIKey | NWEAGCBJMSSDBY-WKGHCRPTSA-N |
Product Overview
Adenophostin B (CAS 149091-93-0), with molecular formula C18H28N5O19P3 and molecular weight 711.06 g/mol. IUPAC: [(2R,3R,4R,5R,6R)-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-5-hydroxy-3,4-diphosphonooxyoxan-2-yl]methyl acetate.
Chemical Property Profile of Adenophostin B
Property Insights of Adenophostin B
The XLogP value of -7.3 indicates that Adenophostin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 364.0 Ų indicates high polarity, suggesting Adenophostin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenophostin B has 9 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adenophostin B?
The CAS number of Adenophostin B is 149091-93-0.
What is the molecular formula of Adenophostin B?
The molecular formula of Adenophostin B is C18H28N5O19P3.
What is the molecular weight of Adenophostin B?
The molecular weight of Adenophostin B is 711.06 g/mol.
Where can I buy Adenophostin B?
You can request a quote for Adenophostin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenophostin B?
Yes, KEHONG BIO provides custom synthesis services for Adenophostin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.