![4-[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]-4-oxobutane-1,1,2-tricarboxylic acid structure](/static/products/7103/71036-28-7.webp)
4-[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]-4-oxobutane-1,1,2-tricarboxylic acid
TL;DR: 4-[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]-4-oxobutane-1,1,2-tricarboxylic acid (CAS 71036-28-7) is a chemical compound with molecular formula C12H18O11 and molecular weight 338.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]-4-oxobutane-1,1,2-tricarboxylic acid
Also Known As: (C4-C9)Fatty acids, tetrapentaerythritol ester, 4-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]-4-oxobutane-1,1,2-tricarboxylic acid, 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, tetra-C4-9 carboxylates
| Molecular Formula | C12H18O11 |
|---|---|
| Molecular Weight | 338.08 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 338.0849 |
| Heavy Atoms | 23 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 71036-28-7 |
|---|---|
| SMILES | C(C(C(C(=O)O)C(=O)O)C(=O)O)C(=O)OCC(CO)(CO)CO |
| InChIKey | YTACXTAHSWOPDA-UHFFFAOYSA-N |
Product Overview
4-[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]-4-oxobutane-1,1,2-tricarboxylic acid (CAS 71036-28-7), with molecular formula C12H18O11 and molecular weight 338.08 g/mol. IUPAC: 4-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]-4-oxobutane-1,1,2-tricarboxylic acid.
Chemical Property Profile of 4-[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]-4-oxobutane-1,1,2-tricarboxylic acid
Property Insights of 4-[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]-4-oxobutane-1,1,2-tricarboxylic acid
The XLogP value of -3.1 indicates that 4-[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]-4-oxobutane-1,1,2-tricarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 199.0 Ų indicates high polarity, suggesting 4-[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]-4-oxobutane-1,1,2-tricarboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]-4-oxobutane-1,1,2-tricarboxylic acid has 6 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-[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]-4-oxobutane-1,1,2-tricarboxylic acid?
The CAS number of 4-[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]-4-oxobutane-1,1,2-tricarboxylic acid is 71036-28-7.
What is the molecular formula of 4-[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]-4-oxobutane-1,1,2-tricarboxylic acid?
The molecular formula of 4-[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]-4-oxobutane-1,1,2-tricarboxylic acid is C12H18O11.
What is the molecular weight of 4-[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]-4-oxobutane-1,1,2-tricarboxylic acid?
The molecular weight of 4-[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]-4-oxobutane-1,1,2-tricarboxylic acid is 338.08 g/mol.
Where can I buy 4-[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]-4-oxobutane-1,1,2-tricarboxylic acid?
You can request a quote for 4-[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]-4-oxobutane-1,1,2-tricarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]-4-oxobutane-1,1,2-tricarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]-4-oxobutane-1,1,2-tricarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.