5'-Thymidylic acid, 3'-(5-((4-(diethylamino)butyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3)
TL;DR: 5'-Thymidylic acid, 3'-(5-((4-(diethylamino)butyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3) (CAS 101010-99-5) is a chemical compound with molecular formula C27H49N4O9P and molecular weight 604.3237 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,5R)-3-[5-[4-(diethylamino)butyl-diethylazaniumyl]pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
Also Known As: 5'-Thymidylic acid, 3'-(5-((4-(diethylamino)butyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3), [(2R,3S,5R)-3-[5-[4-(diethylamino)butyl-diethylazaniumyl]pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate, 3'-O-(5-{[4-(Diethylamino)butyl]di(ethyl)azaniumyl}pentanoyl)-5'-O-(hydroxyphosphinato)thymidine, 5'-Thymidylic acid,3'-(5-((4-(diethylamino)butyl)diethylammonio)pentanoate),hydroxide,inner salt,hydrate (1:3)
Technical Specifications
| Molecular Formula | C27H49N4O9P |
| Molecular Weight | 604.3237 g/mol |
| XLogP | -1.5 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 20 |
| Exact Mass | 604.3237 Da |
| Heavy Atoms | 41 |
| Complexity | 947.0 |
| SMILES | CCN(CC)CCCC[N+](CC)(CC)CCCCC(=O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)[O-])N2C=C(C(=O)NC2=O)C |
| InChIKey | BIZJUMFDLOEDFN-RBZQAINGSA-N |
Chemical Property Profile of 5'-Thymidylic acid, 3'-(5-((4-(diethylamino)butyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3)
Property Insights of 5'-Thymidylic acid, 3'-(5-((4-(diethylamino)butyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3)
The XLogP value of -1.5 indicates that 5'-Thymidylic acid, 3'-(5-((4-(diethylamino)butyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.0 Ų indicates high polarity, suggesting 5'-Thymidylic acid, 3'-(5-((4-(diethylamino)butyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'-Thymidylic acid, 3'-(5-((4-(diethylamino)butyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3) has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 5'-Thymidylic acid, 3'-(5-((4-(diethylamino)butyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3)?
The CAS number of 5'-Thymidylic acid, 3'-(5-((4-(diethylamino)butyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3) is 101010-99-5.
What is the molecular formula of 5'-Thymidylic acid, 3'-(5-((4-(diethylamino)butyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3)?
The molecular formula of 5'-Thymidylic acid, 3'-(5-((4-(diethylamino)butyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3) is C27H49N4O9P.
What is the molecular weight of 5'-Thymidylic acid, 3'-(5-((4-(diethylamino)butyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3)?
The molecular weight of 5'-Thymidylic acid, 3'-(5-((4-(diethylamino)butyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3) is 604.3237 g/mol.
Where can I buy 5'-Thymidylic acid, 3'-(5-((4-(diethylamino)butyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3)?
You can request a quote for 5'-Thymidylic acid, 3'-(5-((4-(diethylamino)butyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5'-Thymidylic acid, 3'-(5-((4-(diethylamino)butyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3)?
Yes, CoreyChem provides custom synthesis services for 5'-Thymidylic acid, 3'-(5-((4-(diethylamino)butyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.