四胸苷酸
TL;DR: 四胸苷酸 (CAS 2945-57-5) is a chemical compound with molecular formula C40H54N8O29P4 and molecular weight 1234.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
四胸苷酸
[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
Also Known As: Tetrathymidylic acid, Tetrathymidylate, 5'-Thymidylic acid, thymidylyl-(5'-3')-thymidylyl-(5'-3')-thymidylyl-(5'-3')-, [(2R,3S,5R)-3-[(Hydroxy{[(2R,3S,5R)-3-[(hydroxy{[(2R,3S,5R)-3-[(hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methoxy}phosphoryl)oxy]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methoxy}phosphoryl)oxy]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methoxy}phosphoryl)oxy]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methyl dihydrogen phosphate, [(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
| Molecular Formula | C40H54N8O29P4 |
|---|---|
| Molecular Weight | 1234.19 g/mol |
| LogP | -7.4 |
| Topological Polar Surface Area | 489.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 29 |
| Rotatable Bonds | 22 |
| Exact Mass | 1234.1947 |
| Heavy Atoms | 81 |
| Complexity | 2940.0 |
Chemical Identifiers
| CAS Number | 2945-57-5 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O)O)N6C=C(C(=O)NC6=O)C)N7C=C(C(=O)NC7=O)C)N8C=C(C(=O)NC8=O)C)O |
| InChIKey | BOAPUABTEVWFHM-SJAYXVESSA-N |
Product Overview
四胸苷酸 (CAS 2945-57-5), with molecular formula C40H54N8O29P4 and molecular weight 1234.19 g/mol. IUPAC: [(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate.
Chemical Property Profile of 四胸苷酸
Property Insights of 四胸苷酸
The XLogP value of -7.4 indicates that 四胸苷酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 489.0 Ų indicates high polarity, suggesting 四胸苷酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 四胸苷酸 has 10 hydrogen bond donor(s) and 29 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 四胸苷酸?
The CAS number of 四胸苷酸 is 2945-57-5.
What is the molecular formula of 四胸苷酸?
The molecular formula of 四胸苷酸 is C40H54N8O29P4.
What is the molecular weight of 四胸苷酸?
The molecular weight of 四胸苷酸 is 1234.19 g/mol.
Where can I buy 四胸苷酸?
You can request a quote for 四胸苷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 四胸苷酸?
Yes, KEHONG BIO provides custom synthesis services for 四胸苷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.