P(1)-adenylyl-5'-2'-adenylyl-5'-2'-adenosyl-P(3)-n-decylaminotriphosphate
TL;DR: P(1)-adenylyl-5'-2'-adenylyl-5'-2'-adenosyl-P(3)-n-decylaminotriphosphate (CAS 4601-06-3) is a chemical compound with molecular formula C40H61N16O24P5 and molecular weight 1304.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-decylphosphonamidic acid
Also Known As: Dnpppapapa, n-Decyl-nhpppa2'p5'A2'p5'A, KST-1A0083, [[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-decylphosphonamidic acid, P(1)-Adenylyl-5'-2'-adenylyl-5'-2'-adenosyl-P(3)-n-decylaminotriphosphate
| Molecular Formula | C40H61N16O24P5 |
|---|---|
| Molecular Weight | 1304.27 g/mol |
| LogP | -6.1 |
| Topological Polar Surface Area | 581.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 37 |
| Rotatable Bonds | 30 |
| Exact Mass | 1304.2733 |
| Heavy Atoms | 85 |
| Complexity | 2460.0 |
Chemical Identifiers
| CAS Number | 4601-06-3 |
|---|---|
| SMILES | CCCCCCCCCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H](C([C@@H](O1)N2C=NC3=C(N=CN=C32)N)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)N8C=NC9=C(N=CN=C98)N)O)O)O)O |
| InChIKey | DUHGULOUBZGUTH-HFSNTALBSA-N |
Product Overview
P(1)-adenylyl-5'-2'-adenylyl-5'-2'-adenosyl-P(3)-n-decylaminotriphosphate (CAS 4601-06-3), with molecular formula C40H61N16O24P5 and molecular weight 1304.27 g/mol. IUPAC: [[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-decylphosphonamidic acid.
Chemical Property Profile of P(1)-adenylyl-5'-2'-adenylyl-5'-2'-adenosyl-P(3)-n-decylaminotriphosphate
Property Insights of P(1)-adenylyl-5'-2'-adenylyl-5'-2'-adenosyl-P(3)-n-decylaminotriphosphate
The XLogP value of -6.1 indicates that P(1)-adenylyl-5'-2'-adenylyl-5'-2'-adenosyl-P(3)-n-decylaminotriphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 581.0 Ų indicates high polarity, suggesting P(1)-adenylyl-5'-2'-adenylyl-5'-2'-adenosyl-P(3)-n-decylaminotriphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, P(1)-adenylyl-5'-2'-adenylyl-5'-2'-adenosyl-P(3)-n-decylaminotriphosphate has 13 hydrogen bond donor(s) and 37 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of P(1)-adenylyl-5'-2'-adenylyl-5'-2'-adenosyl-P(3)-n-decylaminotriphosphate?
The CAS number of P(1)-adenylyl-5'-2'-adenylyl-5'-2'-adenosyl-P(3)-n-decylaminotriphosphate is 4601-06-3.
What is the molecular formula of P(1)-adenylyl-5'-2'-adenylyl-5'-2'-adenosyl-P(3)-n-decylaminotriphosphate?
The molecular formula of P(1)-adenylyl-5'-2'-adenylyl-5'-2'-adenosyl-P(3)-n-decylaminotriphosphate is C40H61N16O24P5.
What is the molecular weight of P(1)-adenylyl-5'-2'-adenylyl-5'-2'-adenosyl-P(3)-n-decylaminotriphosphate?
The molecular weight of P(1)-adenylyl-5'-2'-adenylyl-5'-2'-adenosyl-P(3)-n-decylaminotriphosphate is 1304.27 g/mol.
Where can I buy P(1)-adenylyl-5'-2'-adenylyl-5'-2'-adenosyl-P(3)-n-decylaminotriphosphate?
You can request a quote for P(1)-adenylyl-5'-2'-adenylyl-5'-2'-adenosyl-P(3)-n-decylaminotriphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for P(1)-adenylyl-5'-2'-adenylyl-5'-2'-adenosyl-P(3)-n-decylaminotriphosphate?
Yes, KEHONG BIO provides custom synthesis services for P(1)-adenylyl-5'-2'-adenylyl-5'-2'-adenosyl-P(3)-n-decylaminotriphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.