Thymidine 5'-(tetrahydrogen triphosphate), 4'-C-ethylnyl-
TL;DR: Thymidine 5'-(tetrahydrogen triphosphate), 4'-C-ethylnyl- (CAS 848475-28-5) is a chemical compound with molecular formula C12H17N2O14P3 and molecular weight 505.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,5R)-2-ethynyl-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: Thymidine 5'-(tetrahydrogen triphosphate), 4'-C-ethylnyl-, [[(2R,3S,5R)-2-ethynyl-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate, [[(2R,3S,5R)-2-ethynyl-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate, 2,4(1H,3H)-Pyrimidinedione, 1-[2-deoxy-4-C-ethynyl-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-.beta.-D-erythro-pentofuranosyl]-5-methyl-
| Molecular Formula | C12H17N2O14P3 |
|---|---|
| Molecular Weight | 505.99 g/mol |
| LogP | -1.15988 |
| Topological Polar Surface Area | 244.14 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 505.98926 |
| Heavy Atoms | 31 |
| Complexity | 1146.4207 |
Chemical Identifiers
| CAS Number | 848475-28-5 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@](O2)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C#C)O |
Product Overview
Thymidine 5'-(tetrahydrogen triphosphate), 4'-C-ethylnyl- (CAS 848475-28-5), with molecular formula C12H17N2O14P3 and molecular weight 505.99 g/mol. IUPAC: [[(2R,3S,5R)-2-ethynyl-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of Thymidine 5'-(tetrahydrogen triphosphate), 4'-C-ethylnyl-
Property Insights of Thymidine 5'-(tetrahydrogen triphosphate), 4'-C-ethylnyl-
The XLogP value of -1.15988 indicates that Thymidine 5'-(tetrahydrogen triphosphate), 4'-C-ethylnyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 244.14 Ų indicates high polarity, suggesting Thymidine 5'-(tetrahydrogen triphosphate), 4'-C-ethylnyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thymidine 5'-(tetrahydrogen triphosphate), 4'-C-ethylnyl- has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thymidine 5'-(tetrahydrogen triphosphate), 4'-C-ethylnyl-?
The CAS number of Thymidine 5'-(tetrahydrogen triphosphate), 4'-C-ethylnyl- is 848475-28-5.
What is the molecular formula of Thymidine 5'-(tetrahydrogen triphosphate), 4'-C-ethylnyl-?
The molecular formula of Thymidine 5'-(tetrahydrogen triphosphate), 4'-C-ethylnyl- is C12H17N2O14P3.
What is the molecular weight of Thymidine 5'-(tetrahydrogen triphosphate), 4'-C-ethylnyl-?
The molecular weight of Thymidine 5'-(tetrahydrogen triphosphate), 4'-C-ethylnyl- is 505.99 g/mol.
Where can I buy Thymidine 5'-(tetrahydrogen triphosphate), 4'-C-ethylnyl-?
You can request a quote for Thymidine 5'-(tetrahydrogen triphosphate), 4'-C-ethylnyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymidine 5'-(tetrahydrogen triphosphate), 4'-C-ethylnyl-?
Yes, KEHONG BIO provides custom synthesis services for Thymidine 5'-(tetrahydrogen triphosphate), 4'-C-ethylnyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.