Adenylyl (2'-5')-adenylyl-(2'-5')adenosine bis-phosphoramidate
TL;DR: Adenylyl (2'-5')-adenylyl-(2'-5')adenosine bis-phosphoramidate (CAS 85455-74-9) is a chemical compound with molecular formula C30H39N17O14P2 and molecular weight 923.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5R)-4-[amino-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphoryl]oxy-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-4-hydroxyoxolan-2-yl]methoxyphosphonamidic acid
Also Known As: Aaa-bppa, KST-1A8587, Adenylyl (2'-5')-adenylyl-(2'-5')adenosine bis-phosphoramidate, [(2s,3r,4s,5r)-4-[(amino{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}phosphoryl)oxy]-5-(6-amino-9h-purin-9-yl)-3-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}-4-hydroxytetrahydrofuran-2-yl]methyl hydrogen phosphoramidate(non-preferred name), [(2S,3R,4S,5R)-4-[amino-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphoryl]oxy-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-4-hydroxyoxolan-2-yl]methoxyphosphonamidic acid
| Molecular Formula | C30H39N17O14P2 |
|---|---|
| Molecular Weight | 923.23 g/mol |
| LogP | -7.6 |
| Topological Polar Surface Area | 472.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 13 |
| Exact Mass | 923.23376 |
| Heavy Atoms | 63 |
| Complexity | 1730.0 |
Chemical Identifiers
| CAS Number | 85455-74-9 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@@H]4[C@H](O[C@H]([C@@]4(O)OP(=O)(N)OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C(N=CN=C76)N)O)O)N8C=NC9=C(N=CN=C98)N)COP(=O)(N)O)O)O)N |
| InChIKey | MRSOWYPIBMTROY-JDDFFJJZSA-N |
Product Overview
Adenylyl (2'-5')-adenylyl-(2'-5')adenosine bis-phosphoramidate (CAS 85455-74-9), with molecular formula C30H39N17O14P2 and molecular weight 923.23 g/mol. IUPAC: [(2S,3R,4S,5R)-4-[amino-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphoryl]oxy-5-(6-aminopurin-9-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-4-hydroxyoxolan-2-yl]methoxyphosphonamidic acid.
Chemical Property Profile of Adenylyl (2'-5')-adenylyl-(2'-5')adenosine bis-phosphoramidate
Property Insights of Adenylyl (2'-5')-adenylyl-(2'-5')adenosine bis-phosphoramidate
The XLogP value of -7.6 indicates that Adenylyl (2'-5')-adenylyl-(2'-5')adenosine bis-phosphoramidate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 472.0 Ų indicates high polarity, suggesting Adenylyl (2'-5')-adenylyl-(2'-5')adenosine bis-phosphoramidate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenylyl (2'-5')-adenylyl-(2'-5')adenosine bis-phosphoramidate has 11 hydrogen bond donor(s) and 28 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adenylyl (2'-5')-adenylyl-(2'-5')adenosine bis-phosphoramidate?
The CAS number of Adenylyl (2'-5')-adenylyl-(2'-5')adenosine bis-phosphoramidate is 85455-74-9.
What is the molecular formula of Adenylyl (2'-5')-adenylyl-(2'-5')adenosine bis-phosphoramidate?
The molecular formula of Adenylyl (2'-5')-adenylyl-(2'-5')adenosine bis-phosphoramidate is C30H39N17O14P2.
What is the molecular weight of Adenylyl (2'-5')-adenylyl-(2'-5')adenosine bis-phosphoramidate?
The molecular weight of Adenylyl (2'-5')-adenylyl-(2'-5')adenosine bis-phosphoramidate is 923.23 g/mol.
Where can I buy Adenylyl (2'-5')-adenylyl-(2'-5')adenosine bis-phosphoramidate?
You can request a quote for Adenylyl (2'-5')-adenylyl-(2'-5')adenosine bis-phosphoramidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenylyl (2'-5')-adenylyl-(2'-5')adenosine bis-phosphoramidate?
Yes, KEHONG BIO provides custom synthesis services for Adenylyl (2'-5')-adenylyl-(2'-5')adenosine bis-phosphoramidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.