D-2,5-hexodiulose 1-phosphate
TL;DR: D-2,5-hexodiulose 1-phosphate (CAS 16808-78-9) is a chemical compound with molecular formula C6H11O9P and molecular weight 258.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,4S)-3,4,6-trihydroxy-2,5-dioxohexyl] dihydrogen phosphate
Also Known As: D-2,5-Hexodiulose 1-phosphate, D-5-Ketofructose 1-phosphate, 1-O-Phosphono-D-threo-hexo-2,5-diulose, D-threo-2,5-Hexodiulose, 1-(dihydrogen phosphate), [(3S,4S)-3,4,6-trihydroxy-2,5-dioxohexyl] dihydrogen phosphate
| Molecular Formula | C6H11O9P |
|---|---|
| Molecular Weight | 258.01 g/mol |
| LogP | -3.052 |
| Topological Polar Surface Area | 161.59 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 258.01407 |
| Heavy Atoms | 16 |
| Complexity | 307.12106 |
Chemical Identifiers
| CAS Number | 16808-78-9 |
|---|---|
| SMILES | C(C(=O)[C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O |
Product Overview
D-2,5-hexodiulose 1-phosphate (CAS 16808-78-9), with molecular formula C6H11O9P and molecular weight 258.01 g/mol. IUPAC: [(3S,4S)-3,4,6-trihydroxy-2,5-dioxohexyl] dihydrogen phosphate.
Chemical Property Profile of D-2,5-hexodiulose 1-phosphate
Property Insights of D-2,5-hexodiulose 1-phosphate
The XLogP value of -3.052 indicates that D-2,5-hexodiulose 1-phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.59 Ų indicates high polarity, suggesting D-2,5-hexodiulose 1-phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D-2,5-hexodiulose 1-phosphate has 5 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 D-2,5-hexodiulose 1-phosphate?
The CAS number of D-2,5-hexodiulose 1-phosphate is 16808-78-9.
What is the molecular formula of D-2,5-hexodiulose 1-phosphate?
The molecular formula of D-2,5-hexodiulose 1-phosphate is C6H11O9P.
What is the molecular weight of D-2,5-hexodiulose 1-phosphate?
The molecular weight of D-2,5-hexodiulose 1-phosphate is 258.01 g/mol.
Where can I buy D-2,5-hexodiulose 1-phosphate?
You can request a quote for D-2,5-hexodiulose 1-phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-2,5-hexodiulose 1-phosphate?
Yes, KEHONG BIO provides custom synthesis services for D-2,5-hexodiulose 1-phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.