Thymidine diphosphate-6-deoxy-xylo-4-hexulose
TL;DR: Thymidine diphosphate-6-deoxy-xylo-4-hexulose (CAS 7132-58-3) is a chemical compound with molecular formula C16H24N2O15P2 and molecular weight 546.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4R,6R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
Also Known As: Dtdp-dxh, Dtdp-6-deoxy-D-xylo-4-hexulose, dTDP-4-dehydro-6-deoxy-D-galactose, 4,6-Dideoxy-4-oxo-dTDP-D-glucose, Thymidine diphosphate-6-deoxy-xylo-4-hexulose
| Molecular Formula | C16H24N2O15P2 |
|---|---|
| Molecular Weight | 546.07 g/mol |
| LogP | -4.4 |
| Topological Polar Surface Area | 248.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 546.0652 |
| Heavy Atoms | 35 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 7132-58-3 |
|---|---|
| SMILES | C[C@@H]1C(=O)[C@@H]([C@H](C(O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O |
| InChIKey | PSXWNITXWWECNY-SRPWTXKTSA-N |
Product Overview
Thymidine diphosphate-6-deoxy-xylo-4-hexulose (CAS 7132-58-3), with molecular formula C16H24N2O15P2 and molecular weight 546.07 g/mol. IUPAC: [(3R,4R,6R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate.
Chemical Property Profile of Thymidine diphosphate-6-deoxy-xylo-4-hexulose
Property Insights of Thymidine diphosphate-6-deoxy-xylo-4-hexulose
The XLogP value of -4.4 indicates that Thymidine diphosphate-6-deoxy-xylo-4-hexulose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 248.0 Ų indicates high polarity, suggesting Thymidine diphosphate-6-deoxy-xylo-4-hexulose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thymidine diphosphate-6-deoxy-xylo-4-hexulose has 6 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thymidine diphosphate-6-deoxy-xylo-4-hexulose?
The CAS number of Thymidine diphosphate-6-deoxy-xylo-4-hexulose is 7132-58-3.
What is the molecular formula of Thymidine diphosphate-6-deoxy-xylo-4-hexulose?
The molecular formula of Thymidine diphosphate-6-deoxy-xylo-4-hexulose is C16H24N2O15P2.
What is the molecular weight of Thymidine diphosphate-6-deoxy-xylo-4-hexulose?
The molecular weight of Thymidine diphosphate-6-deoxy-xylo-4-hexulose is 546.07 g/mol.
Where can I buy Thymidine diphosphate-6-deoxy-xylo-4-hexulose?
You can request a quote for Thymidine diphosphate-6-deoxy-xylo-4-hexulose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymidine diphosphate-6-deoxy-xylo-4-hexulose?
Yes, KEHONG BIO provides custom synthesis services for Thymidine diphosphate-6-deoxy-xylo-4-hexulose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.