5'-Thymidylic acid, 5'-anhydride with methylenebis(phosphonic acid)
TL;DR: 5'-Thymidylic acid, 5'-anhydride with methylenebis(phosphonic acid) (CAS 59957-94-7) is a chemical compound with molecular formula C11H19N2O13P3 and molecular weight 480.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]methylphosphonic acid
Also Known As: dTMPPCP, beta gamma-CH2-dTTP, beta,gamma-Methylene TTP, beta, gamma-methylene dTTP, PHOSPHOMETHYL PHOSPHONIC ACID DEOXYTHYMIDYLATE ESTER
| Molecular Formula | C11H19N2O13P3 |
|---|---|
| Molecular Weight | 480.01 g/mol |
| LogP | -5.2 |
| Topological Polar Surface Area | 229.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 480.01 |
| Heavy Atoms | 29 |
| Complexity | 853.0 |
Chemical Identifiers
| CAS Number | 59957-94-7 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O |
| InChIKey | HEDAITKJNKXWIZ-DJLDLDEBSA-N |
Product Overview
5'-Thymidylic acid, 5'-anhydride with methylenebis(phosphonic acid) (CAS 59957-94-7), with molecular formula C11H19N2O13P3 and molecular weight 480.01 g/mol. IUPAC: [hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]methylphosphonic acid.
Chemical Property Profile of 5'-Thymidylic acid, 5'-anhydride with methylenebis(phosphonic acid)
Property Insights of 5'-Thymidylic acid, 5'-anhydride with methylenebis(phosphonic acid)
The XLogP value of -5.2 indicates that 5'-Thymidylic acid, 5'-anhydride with methylenebis(phosphonic acid) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 229.0 Ų indicates high polarity, suggesting 5'-Thymidylic acid, 5'-anhydride with methylenebis(phosphonic acid) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'-Thymidylic acid, 5'-anhydride with methylenebis(phosphonic acid) has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5'-Thymidylic acid, 5'-anhydride with methylenebis(phosphonic acid)?
The CAS number of 5'-Thymidylic acid, 5'-anhydride with methylenebis(phosphonic acid) is 59957-94-7.
What is the molecular formula of 5'-Thymidylic acid, 5'-anhydride with methylenebis(phosphonic acid)?
The molecular formula of 5'-Thymidylic acid, 5'-anhydride with methylenebis(phosphonic acid) is C11H19N2O13P3.
What is the molecular weight of 5'-Thymidylic acid, 5'-anhydride with methylenebis(phosphonic acid)?
The molecular weight of 5'-Thymidylic acid, 5'-anhydride with methylenebis(phosphonic acid) is 480.01 g/mol.
Where can I buy 5'-Thymidylic acid, 5'-anhydride with methylenebis(phosphonic acid)?
You can request a quote for 5'-Thymidylic acid, 5'-anhydride with methylenebis(phosphonic acid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-Thymidylic acid, 5'-anhydride with methylenebis(phosphonic acid)?
Yes, KEHONG BIO provides custom synthesis services for 5'-Thymidylic acid, 5'-anhydride with methylenebis(phosphonic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.