5'-Thymidylic acid, 3'-(5-(diethyl(2-(triethylammonio)ethyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:3)
TL;DR: 5'-Thymidylic acid, 3'-(5-(diethyl(2-(triethylammonio)ethyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:3) (CAS 101011-00-1) 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-[diethyl-[2-(triethylazaniumyl)ethyl]azaniumyl]pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
Also Known As: 5'-Thymidylic acid, 3'-(5-(diethyl(2-(triethylammonio)ethyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:3), [(2R,3S,5R)-3-[5-[diethyl-[2-(triethylazaniumyl)ethyl]azaniumyl]pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate, 1-[2-Deoxy-3-O-(5-{diethyl[2-(triethylazaniumyl)ethyl]azaniumyl}pentanoyl)-5-O-phosphonato-beta-D-erythro-pentofuranosyl]-4-hydroxy-5-methylpyrimidin-2(1H)-one, 1-[2-Deoxy-3-O-(5-{diethyl[2-(triethylazaniumyl)ethyl]azaniumyl}pentanoyl)-5-O-phosphonatopentofuranosyl]-4-hydroxy-5-methylpyrimidin-2(1H)-one, 5'-Thymidylic acid,3'-[5-[diethyl[2-(triethylammonio)ethyl]ammonio]pentanoate], bis(inner salt)(9CI)
Technical Specifications
| Molecular Formula | C27H49N4O9P |
| Molecular Weight | 604.3237 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 604.3237 Da |
| Heavy Atoms | 41 |
| Complexity | 958.0 |
| SMILES | CC[N+](CC)(CC)CC[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 | JJEDGFIYWWCVMY-RBZQAINGSA-N |
Chemical Property Profile of 5'-Thymidylic acid, 3'-(5-(diethyl(2-(triethylammonio)ethyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:3)
Property Insights of 5'-Thymidylic acid, 3'-(5-(diethyl(2-(triethylammonio)ethyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:3)
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-Thymidylic acid, 3'-(5-(diethyl(2-(triethylammonio)ethyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:3). The TPSA of 157.0 Ų indicates high polarity, suggesting 5'-Thymidylic acid, 3'-(5-(diethyl(2-(triethylammonio)ethyl)ammonio)pentanoate), dihydroxide,bis(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-(diethyl(2-(triethylammonio)ethyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:3) has 1 hydrogen bond donor(s) and 9 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-(diethyl(2-(triethylammonio)ethyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:3)?
The CAS number of 5'-Thymidylic acid, 3'-(5-(diethyl(2-(triethylammonio)ethyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:3) is 101011-00-1.
What is the molecular formula of 5'-Thymidylic acid, 3'-(5-(diethyl(2-(triethylammonio)ethyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:3)?
The molecular formula of 5'-Thymidylic acid, 3'-(5-(diethyl(2-(triethylammonio)ethyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:3) is C27H49N4O9P.
What is the molecular weight of 5'-Thymidylic acid, 3'-(5-(diethyl(2-(triethylammonio)ethyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:3)?
The molecular weight of 5'-Thymidylic acid, 3'-(5-(diethyl(2-(triethylammonio)ethyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:3) is 604.3237 g/mol.
Where can I buy 5'-Thymidylic acid, 3'-(5-(diethyl(2-(triethylammonio)ethyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:3)?
You can request a quote for 5'-Thymidylic acid, 3'-(5-(diethyl(2-(triethylammonio)ethyl)ammonio)pentanoate), dihydroxide,bis(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-(diethyl(2-(triethylammonio)ethyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:3)?
Yes, CoreyChem provides custom synthesis services for 5'-Thymidylic acid, 3'-(5-(diethyl(2-(triethylammonio)ethyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:3) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.