Digalacturonate
TL;DR: Digalacturonate (CAS 28144-27-6) is a chemical compound with molecular formula C12H18O13 and molecular weight 370.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Digalacturonic acid, Digalacturonate, DIGALACTURONICACID, GlyTouCan:G11876JO, Digalacturonic Acid (>85%)
| Molecular Formula | C12H18O13 |
|---|---|
| Molecular Weight | 370.07 g/mol |
| LogP | -4.2 |
| Topological Polar Surface Area | 224.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.07474 |
| Heavy Atoms | 25 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 28144-27-6 |
|---|---|
| SMILES | [C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O[C@@H]2[C@@H]([C@H](C(O[C@@H]2C(=O)O)O)O)O)C(=O)O)O)O |
| InChIKey | IGSYEZFZPOZFNC-LKIWRGPLSA-N |
Product Overview
Digalacturonate (CAS 28144-27-6), with molecular formula C12H18O13 and molecular weight 370.07 g/mol. IUPAC: (2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Digalacturonate
Property Insights of Digalacturonate
The XLogP value of -4.2 indicates that Digalacturonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 224.0 Ų indicates high polarity, suggesting Digalacturonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Digalacturonate has 8 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 Digalacturonate?
The CAS number of Digalacturonate is 28144-27-6.
What is the molecular formula of Digalacturonate?
The molecular formula of Digalacturonate is C12H18O13.
What is the molecular weight of Digalacturonate?
The molecular weight of Digalacturonate is 370.07 g/mol.
Where can I buy Digalacturonate?
You can request a quote for Digalacturonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Digalacturonate?
Yes, KEHONG BIO provides custom synthesis services for Digalacturonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.