Showdomycin diphosphate
TL;DR: Showdomycin diphosphate (CAS 79084-77-8) is a chemical compound with molecular formula C9H13NO12P2 and molecular weight 388.99 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 phosphono hydrogen phosphate
Also Known As: Showdomycin diphosphate, [(2R,3S,4R,5S)-5-(2,5-dioxopyrrol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate, 1H-Pyrrole-2,5-dione, 3-(5-O-(hydroxy(phosphonooxy)phosphinyl)-beta-D-ribofuranosyl)-, (1S)-1,4-Anhydro-1-(5-hydroxy-2-oxo-2H-pyrrol-3-yl)-5-O-[hydroxy(phosphonooxy)phosphoryl]-D-ribitol, 1,4-Anhydro-1-(5-hydroxy-2-oxo-2H-pyrrol-3-yl)-5-O-[hydroxy(phosphonooxy)phosphoryl]pentitol
| Molecular Formula | C9H13NO12P2 |
|---|---|
| Molecular Weight | 388.99 g/mol |
| LogP | -5.3 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.9913 |
| Heavy Atoms | 24 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 79084-77-8 |
|---|---|
| SMILES | C1=C(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O |
| InChIKey | SQNDQPLVOAKNQJ-JBBNEOJLSA-N |
Product Overview
Showdomycin diphosphate (CAS 79084-77-8), with molecular formula C9H13NO12P2 and molecular weight 388.99 g/mol. IUPAC: [(2R,3S,4R,5S)-5-(2,5-dioxopyrrol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate.
Chemical Property Profile of Showdomycin diphosphate
Property Insights of Showdomycin diphosphate
The XLogP value of -5.3 indicates that Showdomycin diphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 209.0 Ų indicates high polarity, suggesting Showdomycin diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Showdomycin diphosphate has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Showdomycin diphosphate?
The CAS number of Showdomycin diphosphate is 79084-77-8.
What is the molecular formula of Showdomycin diphosphate?
The molecular formula of Showdomycin diphosphate is C9H13NO12P2.
What is the molecular weight of Showdomycin diphosphate?
The molecular weight of Showdomycin diphosphate is 388.99 g/mol.
Where can I buy Showdomycin diphosphate?
You can request a quote for Showdomycin diphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Showdomycin diphosphate?
Yes, KEHONG BIO provides custom synthesis services for Showdomycin diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.