3-Deoxy-2-heptulosaric acid
TL;DR: 3-Deoxy-2-heptulosaric acid (CAS 117144-05-5) is a chemical compound with molecular formula C7H10O8 and molecular weight 222.03757 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R,4R)-2,3,4-trihydroxy-6-oxoheptanedioic acid
Also Known As: Dlhl acid, 3-Deoxy-2-heptulosaric acid, 3-Deoxy-lyxo-2-heptulosaric acid, 3-deoxylyxo-2-heptulosaric acid, 3-Deoxy-D-lyxo-2-heptulosaric acid
Technical Specifications
| Molecular Formula | C7H10O8 |
| Molecular Weight | 222.03757 g/mol |
| XLogP | -2.7 |
| Topological Polar Surface Area (TPSA) | 152.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.03757 Da |
| Heavy Atoms | 15 |
| Complexity | 272.0 |
| SMILES | C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)C(=O)C(=O)O |
| InChIKey | IEBQXKOEWCQOHR-GMSGWIQWSA-N |
Chemical Property Profile of 3-Deoxy-2-heptulosaric acid
Property Insights of 3-Deoxy-2-heptulosaric acid
The XLogP value of -2.7 indicates that 3-Deoxy-2-heptulosaric acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 152.0 Ų indicates high polarity, suggesting 3-Deoxy-2-heptulosaric acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Deoxy-2-heptulosaric acid 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 3-Deoxy-2-heptulosaric acid?
The CAS number of 3-Deoxy-2-heptulosaric acid is 117144-05-5.
What is the molecular formula of 3-Deoxy-2-heptulosaric acid?
The molecular formula of 3-Deoxy-2-heptulosaric acid is C7H10O8.
What is the molecular weight of 3-Deoxy-2-heptulosaric acid?
The molecular weight of 3-Deoxy-2-heptulosaric acid is 222.03757 g/mol.
Where can I buy 3-Deoxy-2-heptulosaric acid?
You can request a quote for 3-Deoxy-2-heptulosaric acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Deoxy-2-heptulosaric acid?
Yes, CoreyChem provides custom synthesis services for 3-Deoxy-2-heptulosaric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.