1-胸腺嘧啶基葡糖胺-4,6-二硫酸酯
TL;DR: 1-胸腺嘧啶基葡糖胺-4,6-二硫酸酯 (CAS 133906-27-1) is a chemical compound with molecular formula C11H17N3O12S2 and molecular weight 447.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-胸腺嘧啶基葡糖胺-4,6-二硫酸酯
[(2R,3S,4R,5R,6R)-5-amino-4-hydroxy-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate
Also Known As: 1-Tgads, 1-Thyminylglucosamine-4,6-disulfate, 1-Thyminyl-D-glucosamine-4,6-disulfate, [(2R,3S,4R,5R,6R)-5-amino-4-hydroxy-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate, 1-(2-Amino-2-deoxy-4,6-di-O-sulfo-beta-D-glucopyranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C11H17N3O12S2 |
|---|---|
| Molecular Weight | 447.03 g/mol |
| LogP | -6.4 |
| Topological Polar Surface Area | 249.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.02536 |
| Heavy Atoms | 28 |
| Complexity | 873.0 |
Chemical Identifiers
| CAS Number | 133906-27-1 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)OS(=O)(=O)O)O)N |
| InChIKey | UZYIVVYUIHQPIP-VRRGKTLJSA-N |
Product Overview
1-胸腺嘧啶基葡糖胺-4,6-二硫酸酯 (CAS 133906-27-1), with molecular formula C11H17N3O12S2 and molecular weight 447.03 g/mol. IUPAC: [(2R,3S,4R,5R,6R)-5-amino-4-hydroxy-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate.
Chemical Property Profile of 1-胸腺嘧啶基葡糖胺-4,6-二硫酸酯
Property Insights of 1-胸腺嘧啶基葡糖胺-4,6-二硫酸酯
The XLogP value of -6.4 indicates that 1-胸腺嘧啶基葡糖胺-4,6-二硫酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 249.0 Ų indicates high polarity, suggesting 1-胸腺嘧啶基葡糖胺-4,6-二硫酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-胸腺嘧啶基葡糖胺-4,6-二硫酸酯 has 5 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 1-胸腺嘧啶基葡糖胺-4,6-二硫酸酯?
The CAS number of 1-胸腺嘧啶基葡糖胺-4,6-二硫酸酯 is 133906-27-1.
What is the molecular formula of 1-胸腺嘧啶基葡糖胺-4,6-二硫酸酯?
The molecular formula of 1-胸腺嘧啶基葡糖胺-4,6-二硫酸酯 is C11H17N3O12S2.
What is the molecular weight of 1-胸腺嘧啶基葡糖胺-4,6-二硫酸酯?
The molecular weight of 1-胸腺嘧啶基葡糖胺-4,6-二硫酸酯 is 447.03 g/mol.
Where can I buy 1-胸腺嘧啶基葡糖胺-4,6-二硫酸酯?
You can request a quote for 1-胸腺嘧啶基葡糖胺-4,6-二硫酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-胸腺嘧啶基葡糖胺-4,6-二硫酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1-胸腺嘧啶基葡糖胺-4,6-二硫酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.