2-羟基-1,2,3-丙三羧酸一水合物
TL;DR: 2-羟基-1,2,3-丙三羧酸一水合物 (CAS 5949-29-1) is a chemical compound with molecular formula C6H10O8 and molecular weight 210.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-羟基-1,2,3-丙三羧酸一水合物
2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
Also Known As: Citric acid monohydrate, citric acid, Citric acid hydrate, citrate, Citreoviridin
| Molecular Formula | C6H10O8 |
|---|---|
| Molecular Weight | 210.04 g/mol |
| LogP | -2.07 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.03757 |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
| Melting Point | 135 °C |
| Density | 1.5 g/cm³ |
| Solubility | Solubility in water, g/100ml at 20 °C: 59.2 |
| GHS Signal | Warning |
| H-Statements | H319, H335 |
Chemical Identifiers
| CAS Number | 5949-29-1 |
|---|---|
| SMILES | C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O |
| InChIKey | YASYEJJMZJALEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-羟基-1,2,3-丙三羧酸一水合物 (CAS 5949-29-1), with molecular formula C6H10O8 and molecular weight 210.04 g/mol. IUPAC: 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate.
Chemical Property Profile of 2-羟基-1,2,3-丙三羧酸一水合物
Property Insights of 2-羟基-1,2,3-丙三羧酸一水合物
The XLogP value of -2.07 indicates that 2-羟基-1,2,3-丙三羧酸一水合物 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-羟基-1,2,3-丙三羧酸一水合物. Following Lipinski's Rule of Five, 2-羟基-1,2,3-丙三羧酸一水合物 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
Frequently Asked Questions
What is the CAS number of 2-羟基-1,2,3-丙三羧酸一水合物?
The CAS number of 2-羟基-1,2,3-丙三羧酸一水合物 is 5949-29-1.
What is the molecular formula of 2-羟基-1,2,3-丙三羧酸一水合物?
The molecular formula of 2-羟基-1,2,3-丙三羧酸一水合物 is C6H10O8.
What is the molecular weight of 2-羟基-1,2,3-丙三羧酸一水合物?
The molecular weight of 2-羟基-1,2,3-丙三羧酸一水合物 is 210.04 g/mol.
Where can I buy 2-羟基-1,2,3-丙三羧酸一水合物?
You can request a quote for 2-羟基-1,2,3-丙三羧酸一水合物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-羟基-1,2,3-丙三羧酸一水合物?
Yes, KEHONG BIO provides custom synthesis services for 2-羟基-1,2,3-丙三羧酸一水合物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.