5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)
TL;DR: 5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt) (CAS 101011-06-7) is a chemical compound with molecular formula C31H53N4O9P and molecular weight 656.35504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,5S)-3-[5-(4-decyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
Also Known As: 5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt), [(2R,3S,5S)-3-[5-(1-decyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate, [(2R,3S,5S)-3-{[5-(4-Decyl-1,4-diazabicyclo[2.2.2]octane-1,4-diium-1-yl)pentanoyl]oxy}-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methyl phosphate, BRN 6040240
Technical Specifications
| Molecular Formula | C31H53N4O9P |
| Molecular Weight | 656.35504 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Exact Mass | 656.35504 Da |
| Heavy Atoms | 45 |
| Complexity | 1080.0 |
| SMILES | CCCCCCCCCC[N+]12CC[N+](CC1)(CC2)CCCCC(=O)O[C@H]3C[C@H](O[C@@H]3COP(=O)([O-])[O-])N4C=C(C(=O)NC4=O)C |
| InChIKey | XOELTOAOMKZBFT-DSCYDMRWSA-N |
Product Description
Applications: AC1MI5TZ is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1MI5TZ (CAS 101011-06-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A fine chemical supplied by CoreyChem, AC1MI5TZ (CAS 101011-06-7) has the molecular formula C31H53N4O9P and a molecular weight of 656.36 g/mol. It is also known as 5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt) and [(2R,3S,5S)-3-[5-(1-decyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)
Property Insights of 5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt). The TPSA of 157.0 Ų indicates high polarity, suggesting 5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt) 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-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)?
The CAS number of 5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt) is 101011-06-7.
What is the molecular formula of 5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)?
The molecular formula of 5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt) is C31H53N4O9P.
What is the molecular weight of 5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)?
The molecular weight of 5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt) is 656.35504 g/mol.
What are the applications of 5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)?
AC1MI5TZ is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1MI5TZ (CAS 101011-06-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Where can I buy 5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)?
You can request a quote for 5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt) 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-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)?
Yes, CoreyChem provides custom synthesis services for 5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.