草酰苹果酸
TL;DR: 草酰苹果酸 (CAS 3687-15-8) is a chemical compound with molecular formula C6H6O8 and molecular weight 206.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
草酰苹果酸
2-hydroxy-1-oxopropane-1,2,3-tricarboxylic acid
Also Known As: Oxalomalic acid, oxalomalate, 2-Pentulosaric acid,3-carboxy-3-deoxy-, 2-hydroxy-1-oxopropane-1,2,3-tricarboxylic acid, SID:53787810
| Molecular Formula | C6H6O8 |
|---|---|
| Molecular Weight | 206.01 g/mol |
| LogP | -2.0695 |
| Topological Polar Surface Area | 149.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.00627 |
| Heavy Atoms | 14 |
| Complexity | 304.95337 |
Chemical Identifiers
| CAS Number | 3687-15-8 |
|---|---|
| SMILES | C(C(=O)O)C(C(=O)C(=O)O)(C(=O)O)O |
Product Overview
草酰苹果酸 (CAS 3687-15-8), with molecular formula C6H6O8 and molecular weight 206.01 g/mol. IUPAC: 2-hydroxy-1-oxopropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 草酰苹果酸
Property Insights of 草酰苹果酸
The XLogP value of -2.0695 indicates that 草酰苹果酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.2 Ų indicates high polarity, suggesting 草酰苹果酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 草酰苹果酸 has 4 hydrogen bond donor(s) and 5 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 草酰苹果酸?
The CAS number of 草酰苹果酸 is 3687-15-8.
What is the molecular formula of 草酰苹果酸?
The molecular formula of 草酰苹果酸 is C6H6O8.
What is the molecular weight of 草酰苹果酸?
The molecular weight of 草酰苹果酸 is 206.01 g/mol.
Where can I buy 草酰苹果酸?
You can request a quote for 草酰苹果酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 草酰苹果酸?
Yes, KEHONG BIO provides custom synthesis services for 草酰苹果酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.