Pyridoxal(5')diphospho(1)-glucose
TL;DR: Pyridoxal(5')diphospho(1)-glucose (CAS 80500-87-4) is a chemical compound with molecular formula C24H20O9 and molecular weight 452.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 2-acetyloxybenzoate
Also Known As: Pyridoxal(5')diphospho(1)-glucose, Benzoic acid, 2-(acetyloxy)-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2R-trans)-, [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 2-acetyloxybenzoate
| Molecular Formula | C24H20O9 |
|---|---|
| Molecular Weight | 452.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.11072 |
| Heavy Atoms | 33 |
| Complexity | 699.0 |
Chemical Identifiers
| CAS Number | 80500-87-4 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)O[C@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C=C4)O)O)O)O |
| InChIKey | OHKUCGXWBFPANI-XZOQPEGZSA-N |
Product Overview
Pyridoxal(5')diphospho(1)-glucose (CAS 80500-87-4), with molecular formula C24H20O9 and molecular weight 452.11 g/mol. IUPAC: [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 2-acetyloxybenzoate.
Chemical Property Profile of Pyridoxal(5')diphospho(1)-glucose
Property Insights of Pyridoxal(5')diphospho(1)-glucose
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridoxal(5')diphospho(1)-glucose. The TPSA of 143.0 Ų indicates high polarity, suggesting Pyridoxal(5')diphospho(1)-glucose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyridoxal(5')diphospho(1)-glucose has 4 hydrogen bond donor(s) and 9 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 Pyridoxal(5')diphospho(1)-glucose?
The CAS number of Pyridoxal(5')diphospho(1)-glucose is 80500-87-4.
What is the molecular formula of Pyridoxal(5')diphospho(1)-glucose?
The molecular formula of Pyridoxal(5')diphospho(1)-glucose is C24H20O9.
What is the molecular weight of Pyridoxal(5')diphospho(1)-glucose?
The molecular weight of Pyridoxal(5')diphospho(1)-glucose is 452.11 g/mol.
Where can I buy Pyridoxal(5')diphospho(1)-glucose?
You can request a quote for Pyridoxal(5')diphospho(1)-glucose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridoxal(5')diphospho(1)-glucose?
Yes, KEHONG BIO provides custom synthesis services for Pyridoxal(5')diphospho(1)-glucose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.