Julibrine I
TL;DR: Julibrine I (CAS 142628-28-2) is a chemical compound with molecular formula C21H31NO14 and molecular weight 521.17444 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[5-hydroxy-4-(methoxymethyl)-6-methyl-3-pyridinyl]methoxy]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Julibrine I, (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methoxy]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, 3-Hydroxy-5-hydroxymethyl-4-methoxymethyl-2-methylpyridine-5'-O-beta-glucuronopyranosyl(1-2)beta-glucopyranoside, beta-D-Glucopyranoside, (5-hydroxy-4-(methoxymethyl)-6-methyl-3-pyridinyl)methyl 2-O-beta-D-glucopyranuronosyl-, (2S,3S,4S,5R,6R)-6-(((2R,3R,4S,5S,6R)-4,5-dihydroxy-2-((5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl)methoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
Technical Specifications
| Molecular Formula | C21H31NO14 |
| Molecular Weight | 521.17444 g/mol |
| XLogP | -3.3 |
| Topological Polar Surface Area (TPSA) | 238.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 521.17444 Da |
| Heavy Atoms | 36 |
| Complexity | 716.0 |
| SMILES | CC1=NC=C(C(=C1O)COC)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O |
| InChIKey | IICDZBPKQPBMEO-HBEHLLOISA-N |
Chemical Property Profile of Julibrine I
Property Insights of Julibrine I
The XLogP value of -3.3 indicates that Julibrine I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 238.0 Ų indicates high polarity, suggesting Julibrine I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Julibrine I has 8 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Julibrine I?
The CAS number of Julibrine I is 142628-28-2.
What is the molecular formula of Julibrine I?
The molecular formula of Julibrine I is C21H31NO14.
What is the molecular weight of Julibrine I?
The molecular weight of Julibrine I is 521.17444 g/mol.
Where can I buy Julibrine I?
You can request a quote for Julibrine I directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Julibrine I?
Yes, CoreyChem provides custom synthesis services for Julibrine I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.