5'-O-(6-O-malonylglucopyranosyl)pyridoxine
TL;DR: 5'-O-(6-O-malonylglucopyranosyl)pyridoxine (CAS 6305-08-4) is a chemical compound with molecular formula C17H23NO11 and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-3-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methoxy]oxan-2-yl]methoxy]propanoic acid
Also Known As: MG-Pyridoxine, KST-1A0230, 5'-O-(6-O-Malonylglucopyranosyl)pyridoxine, 6-[bis(2-chloroethyl)aminomethyl]pteridine-2,4-diamine, [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl 6-o-(carboxyacetyl)-
| Molecular Formula | C17H23NO11 |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 417.1271 |
| Heavy Atoms | 29 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 6305-08-4 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)CO)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)CC(=O)O)O)O)O |
| InChIKey | AEDORKVKMIVLBW-BLDDREHASA-N |
Product Overview
5'-O-(6-O-malonylglucopyranosyl)pyridoxine (CAS 6305-08-4), with molecular formula C17H23NO11 and molecular weight 417.13 g/mol. IUPAC: 3-oxo-3-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methoxy]oxan-2-yl]methoxy]propanoic acid.
Chemical Property Profile of 5'-O-(6-O-malonylglucopyranosyl)pyridoxine
Property Insights of 5'-O-(6-O-malonylglucopyranosyl)pyridoxine
The XLogP value of -2.2 indicates that 5'-O-(6-O-malonylglucopyranosyl)pyridoxine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 196.0 Ų indicates high polarity, suggesting 5'-O-(6-O-malonylglucopyranosyl)pyridoxine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'-O-(6-O-malonylglucopyranosyl)pyridoxine 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 5'-O-(6-O-malonylglucopyranosyl)pyridoxine?
The CAS number of 5'-O-(6-O-malonylglucopyranosyl)pyridoxine is 6305-08-4.
What is the molecular formula of 5'-O-(6-O-malonylglucopyranosyl)pyridoxine?
The molecular formula of 5'-O-(6-O-malonylglucopyranosyl)pyridoxine is C17H23NO11.
What is the molecular weight of 5'-O-(6-O-malonylglucopyranosyl)pyridoxine?
The molecular weight of 5'-O-(6-O-malonylglucopyranosyl)pyridoxine is 417.13 g/mol.
Where can I buy 5'-O-(6-O-malonylglucopyranosyl)pyridoxine?
You can request a quote for 5'-O-(6-O-malonylglucopyranosyl)pyridoxine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-O-(6-O-malonylglucopyranosyl)pyridoxine?
Yes, KEHONG BIO provides custom synthesis services for 5'-O-(6-O-malonylglucopyranosyl)pyridoxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.