P6XAY84W8G
TL;DR: P6XAY84W8G (CAS 736967-62-7) is a chemical compound with molecular formula C17H31NO12 and molecular weight 441.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: J3.305.275H, 2-(((2R,3S,4R,5R,6S)-4,5-Dihydroxy-6-(((2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl)oxy)-2-(hydroxymethyl)oxan-3-yl)oxy)-6-methyloxane-3,4,5-triol, (2S,3R,4S,5S,6R)-, (2S,3R,4S,5S,6R)-2-((2R,3S,4R,5R,6S)-4,5-Dihydroxy-6-((2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl)oxy-2-(hydroxymethyl)tetrahydropyran-3-yl)oxy-6-methyl-tetrahydropyran-3,4,5-triol, (2R)-4alpha-Hydroxy-3beta-[4-O-(6-deoxy-beta-D-glucopyranosyl)-alpha-D-glucopyranosyloxy]pyrrolidine-2alpha-methanol, (2R,3R,4R)-4-HYDROXY-2-(HYDROXYMETHYL)-3-PYRROLIDINYL 4-O-(6-DEOXY-.BETA.-D-GLUCOPYRANOSYL)-.ALPHA.-D-GLUCOPYRANOSIDE
| Molecular Formula | C17H31NO12 |
|---|---|
| Molecular Weight | 441.18 g/mol |
| LogP | -5.6517 |
| Topological Polar Surface Area | 210.79 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.18463 |
| Heavy Atoms | 30 |
| Complexity | 554.83167 |
Chemical Identifiers
| CAS Number | 736967-62-7 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@H]3[C@@H](CN[C@@H]3CO)O)CO)O)O)O |
Product Overview
P6XAY84W8G (CAS 736967-62-7), with molecular formula C17H31NO12 and molecular weight 441.18 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of P6XAY84W8G
Property Insights of P6XAY84W8G
The XLogP value of -5.6517 indicates that P6XAY84W8G is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 210.79 Ų indicates high polarity, suggesting P6XAY84W8G may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, P6XAY84W8G has 9 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of P6XAY84W8G?
The CAS number of P6XAY84W8G is 736967-62-7.
What is the molecular formula of P6XAY84W8G?
The molecular formula of P6XAY84W8G is C17H31NO12.
What is the molecular weight of P6XAY84W8G?
The molecular weight of P6XAY84W8G is 441.18 g/mol.
Where can I buy P6XAY84W8G?
You can request a quote for P6XAY84W8G directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for P6XAY84W8G?
Yes, KEHONG BIO provides custom synthesis services for P6XAY84W8G and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.