2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)
TL;DR: 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1) (CAS 5949-29-1) is a chemical compound with molecular formula C6H10O8 and molecular weight 210.03757 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
Also Known As: Citric acid monohydrate, citric acid, Citric acid hydrate, citrate, Citreoviridin
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H10O8 |
| Molecular Weight | 210.03757 g/mol |
| XLogP | -2.07 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.03757 Da |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
| Purity | ≥99.0% |
| Melting Point | 135 °C |
| Density | 1.5 g/cm³ |
| Solubility | Solubility in water, g/100ml at 20 °C: 59.2 |
| SMILES | C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O |
| InChIKey | YASYEJJMZJALEJ-UHFFFAOYSA-N |
Product Description
Applications: 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1) is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Typical specifications: commercial lots are supplied at ≥99.0%. CoreyChem supplies 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1) (CAS 5949-29-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1) (CAS 5949-29-1) is a pharmaceutical intermediate with the molecular formula C6H10O8 and a molecular weight of 210.04 g/mol. Key physical properties include a density of 1.5 g/cm³ g/cm³, a solubility: Solubility in water, g/100ml at 20 °C: 59.2. It is also known as Citric acid monohydrate and citric acid.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Safety Information
H319, H335
Chemical Property Profile of 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)
Property Insights of 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)
The XLogP value of -2.07 indicates that 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1). Following Lipinski's Rule of Five, 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1) has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)?
The CAS number of 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1) is 5949-29-1.
What is the molecular formula of 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)?
The molecular formula of 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1) is C6H10O8.
What is the molecular weight of 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)?
The molecular weight of 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1) is 210.03757 g/mol.
What are the applications of 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)?
2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1) is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Typical...
Where can I buy 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)?
You can request a quote for 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)?
Yes, CoreyChem provides custom synthesis services for 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.