dl-异柠檬酸
TL;DR: dl-异柠檬酸 (CAS 76214-89-6) is a chemical compound with molecular formula C6H5Na3O7 and molecular weight 257.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dl-异柠檬酸
trisodium;1-hydroxypropane-1,2,3-tricarboxylate
Also Known As: Isocitric acid trisodium salt, DL-Isocitric acid, Isocitric acid, dl-, DL-Isocitric acid trisodium salt, SODIUM ISOCITRATE
| Molecular Formula | C6H5Na3O7 |
|---|---|
| Molecular Weight | 257.97 g/mol |
| LogP | -14.3847 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.97284 |
| Heavy Atoms | 16 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 76214-89-6 |
|---|---|
| SMILES | C(C(C(C(=O)[O-])O)C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | HWMVXEKEEAIYGB-UHFFFAOYSA-K |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
dl-异柠檬酸 (CAS 76214-89-6), with molecular formula C6H5Na3O7 and molecular weight 257.97 g/mol. IUPAC: trisodium;1-hydroxypropane-1,2,3-tricarboxylate.
Chemical Property Profile of dl-异柠檬酸
Property Insights of dl-异柠檬酸
The XLogP value of -14.3847 indicates that dl-异柠檬酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting dl-异柠檬酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, dl-异柠檬酸 has 1 hydrogen bond donor(s) and 7 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 dl-异柠檬酸?
The CAS number of dl-异柠檬酸 is 76214-89-6.
What is the molecular formula of dl-异柠檬酸?
The molecular formula of dl-异柠檬酸 is C6H5Na3O7.
What is the molecular weight of dl-异柠檬酸?
The molecular weight of dl-异柠檬酸 is 257.97 g/mol.
Where can I buy dl-异柠檬酸?
You can request a quote for dl-异柠檬酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dl-异柠檬酸?
Yes, KEHONG BIO provides custom synthesis services for dl-异柠檬酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.