Showdomycin 5'-phosphate
TL;DR: Showdomycin 5'-phosphate (CAS 40853-66-5) is a chemical compound with molecular formula C9H12NO9P and molecular weight 309.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5S)-5-(2,5-dioxopyrrol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: Showdomycin 5'-phosphate, 1H-Pyrrole-2,5-dione, 3-(5-O-phosphono-beta-D-ribofuranosyl)-, [(2R,3S,4R,5S)-5-(2,5-dioxopyrrol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate, (1S)-1,4-Anhydro-1-(2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)-5-O-phosphono-D-ribitol, RefChem:182763
| Molecular Formula | C9H12NO9P |
|---|---|
| Molecular Weight | 309.02 g/mol |
| LogP | -2.8323 |
| Topological Polar Surface Area | 162.62 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.02496 |
| Heavy Atoms | 20 |
| Complexity | 511.5476 |
Chemical Identifiers
| CAS Number | 40853-66-5 |
|---|---|
| SMILES | C1=C(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O |
Product Overview
Showdomycin 5'-phosphate (CAS 40853-66-5), with molecular formula C9H12NO9P and molecular weight 309.02 g/mol. IUPAC: [(2R,3S,4R,5S)-5-(2,5-dioxopyrrol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of Showdomycin 5'-phosphate
Property Insights of Showdomycin 5'-phosphate
The XLogP value of -2.8323 indicates that Showdomycin 5'-phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 162.62 Ų indicates high polarity, suggesting Showdomycin 5'-phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Showdomycin 5'-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 Showdomycin 5'-phosphate?
The CAS number of Showdomycin 5'-phosphate is 40853-66-5.
What is the molecular formula of Showdomycin 5'-phosphate?
The molecular formula of Showdomycin 5'-phosphate is C9H12NO9P.
What is the molecular weight of Showdomycin 5'-phosphate?
The molecular weight of Showdomycin 5'-phosphate is 309.02 g/mol.
Where can I buy Showdomycin 5'-phosphate?
You can request a quote for Showdomycin 5'-phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Showdomycin 5'-phosphate?
Yes, KEHONG BIO provides custom synthesis services for Showdomycin 5'-phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.