4'-O-(Glucosyl)-5'-O-(cellobiosyl)pyridoxine
TL;DR: 4'-O-(Glucosyl)-5'-O-(cellobiosyl)pyridoxine (CAS 116169-15-4) is a chemical compound with molecular formula C26H41NO18 and molecular weight 655.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5S,6R)-2-[[5-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3-hydroxy-2-methyl-4-pyridinyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: 4-Gcbpd, 4'-O-(Glucosyl)-5'-O-(cellobiosyl)pyridoxine, 4/'-O-(Glucosyl)-5/'-O-(cellobiosyl)pyridoxine, beta-D-Glucopyranoside, (4-((beta-D-glucopyranosyloxy)methyl)-5-hydroxy-6-methyl-3-pyridinyl)methyl 4-O-beta-D-glucopyranosyl-, {4-[(beta-D-Glucopyranosyloxy)methyl]-5-hydroxy-6-methylpyridin-3-yl}methyl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
| Molecular Formula | C26H41NO18 |
|---|---|
| Molecular Weight | 655.23 g/mol |
| LogP | -6.44718 |
| Topological Polar Surface Area | 311.03 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 655.23236 |
| Heavy Atoms | 45 |
| Complexity | 1094.2264 |
Chemical Identifiers
| CAS Number | 116169-15-4 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O |
Product Overview
4'-O-(Glucosyl)-5'-O-(cellobiosyl)pyridoxine (CAS 116169-15-4), with molecular formula C26H41NO18 and molecular weight 655.23 g/mol. IUPAC: (2R,3R,4S,5S,6R)-2-[[5-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3-hydroxy-2-methyl-4-pyridinyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of 4'-O-(Glucosyl)-5'-O-(cellobiosyl)pyridoxine
Property Insights of 4'-O-(Glucosyl)-5'-O-(cellobiosyl)pyridoxine
The XLogP value of -6.44718 indicates that 4'-O-(Glucosyl)-5'-O-(cellobiosyl)pyridoxine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 311.03 Ų indicates high polarity, suggesting 4'-O-(Glucosyl)-5'-O-(cellobiosyl)pyridoxine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4'-O-(Glucosyl)-5'-O-(cellobiosyl)pyridoxine has 12 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4'-O-(Glucosyl)-5'-O-(cellobiosyl)pyridoxine?
The CAS number of 4'-O-(Glucosyl)-5'-O-(cellobiosyl)pyridoxine is 116169-15-4.
What is the molecular formula of 4'-O-(Glucosyl)-5'-O-(cellobiosyl)pyridoxine?
The molecular formula of 4'-O-(Glucosyl)-5'-O-(cellobiosyl)pyridoxine is C26H41NO18.
What is the molecular weight of 4'-O-(Glucosyl)-5'-O-(cellobiosyl)pyridoxine?
The molecular weight of 4'-O-(Glucosyl)-5'-O-(cellobiosyl)pyridoxine is 655.23 g/mol.
Where can I buy 4'-O-(Glucosyl)-5'-O-(cellobiosyl)pyridoxine?
You can request a quote for 4'-O-(Glucosyl)-5'-O-(cellobiosyl)pyridoxine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-O-(Glucosyl)-5'-O-(cellobiosyl)pyridoxine?
Yes, KEHONG BIO provides custom synthesis services for 4'-O-(Glucosyl)-5'-O-(cellobiosyl)pyridoxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.