D-threo-2,5-Hexodiulosonic acid, calcium salt (2:1)
TL;DR: D-threo-2,5-Hexodiulosonic acid, calcium salt (2:1) (CAS 24940-63-4) is a chemical compound with molecular formula C12H14CaO14 and molecular weight 422.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis((3S,4S)-3,4,6-trihydroxy-2,5-dioxohexanoate)
Also Known As: 2,5-Diketogluconate, Calcium 2,5-diketogluconic acid, 2,5-Dioxo-D-gluconate, 2,5-diketo-D-gluconate, C6H8O7.1/2Ca
| Molecular Formula | C12H14CaO14 |
|---|---|
| Molecular Weight | 422.00 g/mol |
| LogP | -9.2 |
| Topological Polar Surface Area | 270.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 422.00095 |
| Heavy Atoms | 27 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 24940-63-4 |
|---|---|
| SMILES | C(C(=O)[C@H]([C@@H](C(=O)C(=O)[O-])O)O)O.C(C(=O)[C@H]([C@@H](C(=O)C(=O)[O-])O)O)O.[Ca+2] |
| InChIKey | RKFLKNFLAJISPF-OGXRZFKVSA-L |
Product Overview
D-threo-2,5-Hexodiulosonic acid, calcium salt (2:1) (CAS 24940-63-4), with molecular formula C12H14CaO14 and molecular weight 422.00 g/mol. IUPAC: calcium bis((3S,4S)-3,4,6-trihydroxy-2,5-dioxohexanoate).
Chemical Property Profile of D-threo-2,5-Hexodiulosonic acid, calcium salt (2:1)
Property Insights of D-threo-2,5-Hexodiulosonic acid, calcium salt (2:1)
The XLogP value of -9.2 indicates that D-threo-2,5-Hexodiulosonic acid, calcium salt (2:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 270.0 Ų indicates high polarity, suggesting D-threo-2,5-Hexodiulosonic acid, calcium salt (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D-threo-2,5-Hexodiulosonic acid, calcium salt (2:1) has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of D-threo-2,5-Hexodiulosonic acid, calcium salt (2:1)?
The CAS number of D-threo-2,5-Hexodiulosonic acid, calcium salt (2:1) is 24940-63-4.
What is the molecular formula of D-threo-2,5-Hexodiulosonic acid, calcium salt (2:1)?
The molecular formula of D-threo-2,5-Hexodiulosonic acid, calcium salt (2:1) is C12H14CaO14.
What is the molecular weight of D-threo-2,5-Hexodiulosonic acid, calcium salt (2:1)?
The molecular weight of D-threo-2,5-Hexodiulosonic acid, calcium salt (2:1) is 422.00 g/mol.
Where can I buy D-threo-2,5-Hexodiulosonic acid, calcium salt (2:1)?
You can request a quote for D-threo-2,5-Hexodiulosonic acid, calcium salt (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-threo-2,5-Hexodiulosonic acid, calcium salt (2:1)?
Yes, KEHONG BIO provides custom synthesis services for D-threo-2,5-Hexodiulosonic acid, calcium salt (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.