P1-(5'-Adenosyl)P5-(5'-Thymidyl)Pentaphosphate
TL;DR: P1-(5'-Adenosyl)P5-(5'-Thymidyl)Pentaphosphate (CAS 103137-88-8) is a chemical compound with molecular formula C20H30N7O23P5 and molecular weight 891.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl] hydrogen phosphate
Also Known As: 1mrn, 3tmk, AP5dT, 4TMK, p1-(5'-adenosyl)p5-(5'-thymidyl)pentaphosphate
| Molecular Formula | C20H30N7O23P5 |
|---|---|
| Molecular Weight | 891.01 g/mol |
| LogP | -8.4 |
| Topological Polar Surface Area | 440.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 16 |
| Exact Mass | 891.0081 |
| Heavy Atoms | 55 |
| Complexity | 1760.0 |
Chemical Identifiers
| CAS Number | 103137-88-8 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O |
| InChIKey | JCFDSPQTEMXXLO-SLFMBYJQSA-N |
Product Overview
P1-(5'-Adenosyl)P5-(5'-Thymidyl)Pentaphosphate (CAS 103137-88-8), with molecular formula C20H30N7O23P5 and molecular weight 891.01 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl] hydrogen phosphate.
Chemical Property Profile of P1-(5'-Adenosyl)P5-(5'-Thymidyl)Pentaphosphate
Property Insights of P1-(5'-Adenosyl)P5-(5'-Thymidyl)Pentaphosphate
The XLogP value of -8.4 indicates that P1-(5'-Adenosyl)P5-(5'-Thymidyl)Pentaphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 440.0 Ų indicates high polarity, suggesting P1-(5'-Adenosyl)P5-(5'-Thymidyl)Pentaphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, P1-(5'-Adenosyl)P5-(5'-Thymidyl)Pentaphosphate has 10 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of P1-(5'-Adenosyl)P5-(5'-Thymidyl)Pentaphosphate?
The CAS number of P1-(5'-Adenosyl)P5-(5'-Thymidyl)Pentaphosphate is 103137-88-8.
What is the molecular formula of P1-(5'-Adenosyl)P5-(5'-Thymidyl)Pentaphosphate?
The molecular formula of P1-(5'-Adenosyl)P5-(5'-Thymidyl)Pentaphosphate is C20H30N7O23P5.
What is the molecular weight of P1-(5'-Adenosyl)P5-(5'-Thymidyl)Pentaphosphate?
The molecular weight of P1-(5'-Adenosyl)P5-(5'-Thymidyl)Pentaphosphate is 891.01 g/mol.
Where can I buy P1-(5'-Adenosyl)P5-(5'-Thymidyl)Pentaphosphate?
You can request a quote for P1-(5'-Adenosyl)P5-(5'-Thymidyl)Pentaphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for P1-(5'-Adenosyl)P5-(5'-Thymidyl)Pentaphosphate?
Yes, KEHONG BIO provides custom synthesis services for P1-(5'-Adenosyl)P5-(5'-Thymidyl)Pentaphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.