P(1)-(adenosine-5')-P(5)-(thymidine-5')-pentaphosphate
TL;DR: P(1)-(adenosine-5')-P(5)-(thymidine-5')-pentaphosphate (CAS 13457-68-6) is a chemical compound with molecular formula C20H29N7O20P4 and molecular weight 811.0418 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl] hydrogen phosphate
Also Known As: Ap(5)dT, Ap4deoxythymidine, Ap4dT, P(1)-(Adenosine-5')-P(5)-(thymidine-5')-pentaphosphate, J1.695.692I
Technical Specifications
| Molecular Formula | C20H29N7O20P4 |
| Molecular Weight | 811.0418 g/mol |
| XLogP | -7.3 |
| Topological Polar Surface Area (TPSA) | 394.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 14 |
| Exact Mass | 811.0418 Da |
| Heavy Atoms | 51 |
| Complexity | 1580.0 |
| 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)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O |
| InChIKey | WLGHSSFVEUABFP-SLFMBYJQSA-N |
Chemical Property Profile of P(1)-(adenosine-5')-P(5)-(thymidine-5')-pentaphosphate
Property Insights of P(1)-(adenosine-5')-P(5)-(thymidine-5')-pentaphosphate
The XLogP value of -7.3 indicates that P(1)-(adenosine-5')-P(5)-(thymidine-5')-pentaphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 394.0 Ų indicates high polarity, suggesting P(1)-(adenosine-5')-P(5)-(thymidine-5')-pentaphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, P(1)-(adenosine-5')-P(5)-(thymidine-5')-pentaphosphate has 9 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of P(1)-(adenosine-5')-P(5)-(thymidine-5')-pentaphosphate?
The CAS number of P(1)-(adenosine-5')-P(5)-(thymidine-5')-pentaphosphate is 13457-68-6.
What is the molecular formula of P(1)-(adenosine-5')-P(5)-(thymidine-5')-pentaphosphate?
The molecular formula of P(1)-(adenosine-5')-P(5)-(thymidine-5')-pentaphosphate is C20H29N7O20P4.
What is the molecular weight of P(1)-(adenosine-5')-P(5)-(thymidine-5')-pentaphosphate?
The molecular weight of P(1)-(adenosine-5')-P(5)-(thymidine-5')-pentaphosphate is 811.0418 g/mol.
Where can I buy P(1)-(adenosine-5')-P(5)-(thymidine-5')-pentaphosphate?
You can request a quote for P(1)-(adenosine-5')-P(5)-(thymidine-5')-pentaphosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for P(1)-(adenosine-5')-P(5)-(thymidine-5')-pentaphosphate?
Yes, CoreyChem provides custom synthesis services for P(1)-(adenosine-5')-P(5)-(thymidine-5')-pentaphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.