4-O-(3,4-O-(1-Carboxyethylidene)-beta-galactopyranosyl)erithritol
TL;DR: 4-O-(3,4-O-(1-Carboxyethylidene)-beta-galactopyranosyl)erithritol (CAS 87810-47-7) is a chemical compound with molecular formula C13H22O11 and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,4R,6R,7R,7aS)-6,7-dihydroxy-4-(hydroxymethyl)-2-methyl-6-(2,3,4-trihydroxybutyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2-carboxylic acid
Also Known As: 1-Cgpe, 4-O-(3,4-O-(1-Carboxyethylidene)-beta-galactopyranosyl)erithritol, (3aS,4R,6R,7R,7aS)-6,7-dihydroxy-4-(hydroxymethyl)-2-methyl-6-(2,3,4-trihydroxybutyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2-carboxylic acid, 7,8-O-(1-Carboxyethylidene)-4-deoxydec-5-ulopyranose, 7,8-O-(1-carboxyethylidene)-4-deoxy-beta-D-gulo-dec-5-ulopyranose
| Molecular Formula | C13H22O11 |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | -3.6 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.1162 |
| Heavy Atoms | 24 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 87810-47-7 |
|---|---|
| SMILES | CC1(O[C@H]2[C@H](O[C@@]([C@@H]([C@@H]2O1)O)(CC(C(CO)O)O)O)CO)C(=O)O |
| InChIKey | KLYBQOKHNNDOBN-WOGKDIAQSA-N |
Product Overview
4-O-(3,4-O-(1-Carboxyethylidene)-beta-galactopyranosyl)erithritol (CAS 87810-47-7), with molecular formula C13H22O11 and molecular weight 354.12 g/mol. IUPAC: (3aS,4R,6R,7R,7aS)-6,7-dihydroxy-4-(hydroxymethyl)-2-methyl-6-(2,3,4-trihydroxybutyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2-carboxylic acid.
Chemical Property Profile of 4-O-(3,4-O-(1-Carboxyethylidene)-beta-galactopyranosyl)erithritol
Property Insights of 4-O-(3,4-O-(1-Carboxyethylidene)-beta-galactopyranosyl)erithritol
The XLogP value of -3.6 indicates that 4-O-(3,4-O-(1-Carboxyethylidene)-beta-galactopyranosyl)erithritol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 186.0 Ų indicates high polarity, suggesting 4-O-(3,4-O-(1-Carboxyethylidene)-beta-galactopyranosyl)erithritol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-O-(3,4-O-(1-Carboxyethylidene)-beta-galactopyranosyl)erithritol has 7 hydrogen bond donor(s) and 11 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-(3,4-O-(1-Carboxyethylidene)-beta-galactopyranosyl)erithritol?
The CAS number of 4-O-(3,4-O-(1-Carboxyethylidene)-beta-galactopyranosyl)erithritol is 87810-47-7.
What is the molecular formula of 4-O-(3,4-O-(1-Carboxyethylidene)-beta-galactopyranosyl)erithritol?
The molecular formula of 4-O-(3,4-O-(1-Carboxyethylidene)-beta-galactopyranosyl)erithritol is C13H22O11.
What is the molecular weight of 4-O-(3,4-O-(1-Carboxyethylidene)-beta-galactopyranosyl)erithritol?
The molecular weight of 4-O-(3,4-O-(1-Carboxyethylidene)-beta-galactopyranosyl)erithritol is 354.12 g/mol.
Where can I buy 4-O-(3,4-O-(1-Carboxyethylidene)-beta-galactopyranosyl)erithritol?
You can request a quote for 4-O-(3,4-O-(1-Carboxyethylidene)-beta-galactopyranosyl)erithritol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-O-(3,4-O-(1-Carboxyethylidene)-beta-galactopyranosyl)erithritol?
Yes, KEHONG BIO provides custom synthesis services for 4-O-(3,4-O-(1-Carboxyethylidene)-beta-galactopyranosyl)erithritol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.