2-Iminopyrrolidone-5,5-diphosphonic acid
TL;DR: 2-Iminopyrrolidone-5,5-diphosphonic acid (CAS 81287-62-9) is a chemical compound with molecular formula C25H28O14 and molecular weight 552.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(3,4-dihydroxyphenyl)-7-[(2S,3S,4S,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2,3-dihydrochromen-4-one
Also Known As: 2-Iminopyrrolidone-5,5-diphosphonic acid, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-7-((4-O-beta-D-xylopyranosyl-beta-D-arabinopyranosyl)oxy)-, (S)-, (2S)-2-(3,4-dihydroxyphenyl)-7-[(2S,3S,4S,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2,3-dihydrochromen-4-one, (2S)-2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 4-O-beta-D-xylopyranosyl-beta-D-arabinopyranoside
| Molecular Formula | C25H28O14 |
|---|---|
| Molecular Weight | 552.15 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 225.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 552.1479 |
| Heavy Atoms | 39 |
| Complexity | 846.0 |
Chemical Identifiers
| CAS Number | 81287-62-9 |
|---|---|
| SMILES | C1[C@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@H]([C@@H]([C@@H](CO3)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)C5=CC(=C(C=C5)O)O |
| InChIKey | QORKEHBZQUJPEC-JQKVIMTRSA-N |
Product Overview
2-Iminopyrrolidone-5,5-diphosphonic acid (CAS 81287-62-9), with molecular formula C25H28O14 and molecular weight 552.15 g/mol. IUPAC: (2S)-2-(3,4-dihydroxyphenyl)-7-[(2S,3S,4S,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2,3-dihydrochromen-4-one.
Chemical Property Profile of 2-Iminopyrrolidone-5,5-diphosphonic acid
Property Insights of 2-Iminopyrrolidone-5,5-diphosphonic acid
The XLogP value of -1.2 indicates that 2-Iminopyrrolidone-5,5-diphosphonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 225.0 Ų indicates high polarity, suggesting 2-Iminopyrrolidone-5,5-diphosphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Iminopyrrolidone-5,5-diphosphonic acid has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Iminopyrrolidone-5,5-diphosphonic acid?
The CAS number of 2-Iminopyrrolidone-5,5-diphosphonic acid is 81287-62-9.
What is the molecular formula of 2-Iminopyrrolidone-5,5-diphosphonic acid?
The molecular formula of 2-Iminopyrrolidone-5,5-diphosphonic acid is C25H28O14.
What is the molecular weight of 2-Iminopyrrolidone-5,5-diphosphonic acid?
The molecular weight of 2-Iminopyrrolidone-5,5-diphosphonic acid is 552.15 g/mol.
Where can I buy 2-Iminopyrrolidone-5,5-diphosphonic acid?
You can request a quote for 2-Iminopyrrolidone-5,5-diphosphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Iminopyrrolidone-5,5-diphosphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Iminopyrrolidone-5,5-diphosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.