Uridine,5-thiocyanato-, 2',3',5'-triacetate (9CI)
TL;DR: Uridine,5-thiocyanato-, 2',3',5'-triacetate (9CI) (CAS 38927-33-2) is a chemical compound with molecular formula C16H17N3O9S and molecular weight 427.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxo-5-thiocyanatopyrimidin-1-yl)oxolan-2-yl]methyl acetate
Also Known As: Uridine,5-thiocyanato-, 2',3',5'-triacetate (9CI), 2,4(1H,3H)-pyrimidinedione, 5-thiocyanato-1-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)-, [(2R,3R,4R,5R)-3,4-diacetoxy-5-(2,4-dioxo-5-thiocyanato-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl acetate, [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxo-5-thiocyanatopyrimidin-1-yl)oxolan-2-yl]methyl acetate
| Molecular Formula | C16H17N3O9S |
|---|---|
| Molecular Weight | 427.07 g/mol |
| LogP | -0.56632 |
| Topological Polar Surface Area | 166.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.06854 |
| Heavy Atoms | 29 |
| Complexity | 963.60785 |
Chemical Identifiers
| CAS Number | 38927-33-2 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)SC#N)OC(=O)C)OC(=O)C |
Product Overview
Uridine,5-thiocyanato-, 2',3',5'-triacetate (9CI) (CAS 38927-33-2), with molecular formula C16H17N3O9S and molecular weight 427.07 g/mol. IUPAC: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxo-5-thiocyanatopyrimidin-1-yl)oxolan-2-yl]methyl acetate.
Chemical Property Profile of Uridine,5-thiocyanato-, 2',3',5'-triacetate (9CI)
Property Insights of Uridine,5-thiocyanato-, 2',3',5'-triacetate (9CI)
The XLogP value of -0.56632 indicates that Uridine,5-thiocyanato-, 2',3',5'-triacetate (9CI) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.78 Ų indicates high polarity, suggesting Uridine,5-thiocyanato-, 2',3',5'-triacetate (9CI) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Uridine,5-thiocyanato-, 2',3',5'-triacetate (9CI) has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Uridine,5-thiocyanato-, 2',3',5'-triacetate (9CI)?
The CAS number of Uridine,5-thiocyanato-, 2',3',5'-triacetate (9CI) is 38927-33-2.
What is the molecular formula of Uridine,5-thiocyanato-, 2',3',5'-triacetate (9CI)?
The molecular formula of Uridine,5-thiocyanato-, 2',3',5'-triacetate (9CI) is C16H17N3O9S.
What is the molecular weight of Uridine,5-thiocyanato-, 2',3',5'-triacetate (9CI)?
The molecular weight of Uridine,5-thiocyanato-, 2',3',5'-triacetate (9CI) is 427.07 g/mol.
Where can I buy Uridine,5-thiocyanato-, 2',3',5'-triacetate (9CI)?
You can request a quote for Uridine,5-thiocyanato-, 2',3',5'-triacetate (9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Uridine,5-thiocyanato-, 2',3',5'-triacetate (9CI)?
Yes, KEHONG BIO provides custom synthesis services for Uridine,5-thiocyanato-, 2',3',5'-triacetate (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.