![[5']thymidylyl-acetic acid structure](/static/products/1176/117627-22-2.webp)
[5']thymidylyl-acetic acid
TL;DR: [5']thymidylyl-acetic acid (CAS 117627-22-2) is a chemical compound with molecular formula C12H17N2O9P and molecular weight 364.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]acetic acid
Also Known As: [5']thymidylyl-acetic acid|(Hydroxy-(3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethoxy)-phosphoryl)-acetic acid|2-(Hydroxy(((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methoxy)phosphoryl)acetic acid|{Hydroxy-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethoxy]-phosphoryl}-acetic acid|{Hydroxy-[3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethoxy]-phosphoryl}-acetic acid|1-{5-O-[(Carboxymethyl)(hydroxy)phosphoryl]-2-deoxy-beta-D-erythro-pentofuranosyl}-4-hydroxy-5-methylpyrimidin-2(1H)-one|1-{5-O-[(Carboxymethyl)(hydroxy)phosphoryl]-2-deoxypentofuranosyl}-4-hydroxy-5-methylpyrimidin-2(1H)-one|2-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]acetic acid|2-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]acetic acid
| Molecular Formula | C12H17N2O9P |
|---|---|
| Molecular Weight | 364.07 g/mol |
| LogP | -1.21998 |
| Topological Polar Surface Area | 168.15 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.06717 |
| Heavy Atoms | 24 |
| Complexity | 785.46857 |
Chemical Identifiers
| CAS Number | 117627-22-2 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CC(=O)O)O)O |
Product Overview
[5']thymidylyl-acetic acid (CAS 117627-22-2), with molecular formula C12H17N2O9P and molecular weight 364.07 g/mol. IUPAC: 2-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]acetic acid.
Chemical Property Profile of [5']thymidylyl-acetic acid
Property Insights of [5']thymidylyl-acetic acid
The XLogP value of -1.21998 indicates that [5']thymidylyl-acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 168.15 Ų indicates high polarity, suggesting [5']thymidylyl-acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [5']thymidylyl-acetic acid has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [5']thymidylyl-acetic acid?
The CAS number of [5']thymidylyl-acetic acid is 117627-22-2.
What is the molecular formula of [5']thymidylyl-acetic acid?
The molecular formula of [5']thymidylyl-acetic acid is C12H17N2O9P.
What is the molecular weight of [5']thymidylyl-acetic acid?
The molecular weight of [5']thymidylyl-acetic acid is 364.07 g/mol.
Where can I buy [5']thymidylyl-acetic acid?
You can request a quote for [5']thymidylyl-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5']thymidylyl-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [5']thymidylyl-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.