Deoxy-(thymidylyl-adenylyl-thymidylyl-adenylic acid)
TL;DR: Deoxy-(thymidylyl-adenylyl-thymidylyl-adenylic acid) (CAS 39726-35-7) is a chemical compound with molecular formula C40H51N14O22P3 and molecular weight 1172.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-2-[2,3-bis[(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]-2-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]propyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
Also Known As: d(T-A-T-A), Deoxy-(thymidylyl-adenylyl-thymidylyl-adenylic acid), Adenosine, thymidylyl-(3'-5')-2'-deoxyadenylyl-(3'-5')-thymidylyl-(3'-5')-2'-deoxy-, endo-, [(2R,3S,5R)-2-[2,3-bis[(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]-2-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]propyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
| Molecular Formula | C40H51N14O22P3 |
|---|---|
| Molecular Weight | 1172.25 g/mol |
| LogP | -1.97196 |
| Topological Polar Surface Area | 515.62 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 18 |
| Exact Mass | 1172.2515 |
| Heavy Atoms | 79 |
| Complexity | 3699.7642 |
Chemical Identifiers
| CAS Number | 39726-35-7 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C[C@@H]3[C@H](C[C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)(C[C@@H]6[C@H](C[C@@H](O6)N7C=C(C(=O)NC7=O)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H]8[C@H](C[C@@H](O8)N9C=NC1=C(N=CN=C19)N)O)O |
Product Overview
Deoxy-(thymidylyl-adenylyl-thymidylyl-adenylic acid) (CAS 39726-35-7), with molecular formula C40H51N14O22P3 and molecular weight 1172.25 g/mol. IUPAC: [(2R,3S,5R)-2-[2,3-bis[(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]-2-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]propyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate.
Chemical Property Profile of Deoxy-(thymidylyl-adenylyl-thymidylyl-adenylic acid)
Property Insights of Deoxy-(thymidylyl-adenylyl-thymidylyl-adenylic acid)
The XLogP value of -1.97196 indicates that Deoxy-(thymidylyl-adenylyl-thymidylyl-adenylic acid) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 515.62 Ų indicates high polarity, suggesting Deoxy-(thymidylyl-adenylyl-thymidylyl-adenylic acid) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Deoxy-(thymidylyl-adenylyl-thymidylyl-adenylic acid) has 11 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deoxy-(thymidylyl-adenylyl-thymidylyl-adenylic acid)?
The CAS number of Deoxy-(thymidylyl-adenylyl-thymidylyl-adenylic acid) is 39726-35-7.
What is the molecular formula of Deoxy-(thymidylyl-adenylyl-thymidylyl-adenylic acid)?
The molecular formula of Deoxy-(thymidylyl-adenylyl-thymidylyl-adenylic acid) is C40H51N14O22P3.
What is the molecular weight of Deoxy-(thymidylyl-adenylyl-thymidylyl-adenylic acid)?
The molecular weight of Deoxy-(thymidylyl-adenylyl-thymidylyl-adenylic acid) is 1172.25 g/mol.
Where can I buy Deoxy-(thymidylyl-adenylyl-thymidylyl-adenylic acid)?
You can request a quote for Deoxy-(thymidylyl-adenylyl-thymidylyl-adenylic acid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxy-(thymidylyl-adenylyl-thymidylyl-adenylic acid)?
Yes, KEHONG BIO provides custom synthesis services for Deoxy-(thymidylyl-adenylyl-thymidylyl-adenylic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.