(R)-Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate hydrate
TL;DR: (R)-Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate hydrate (CAS 331748-07-3) is a chemical compound with molecular formula C18H34CaN2O11 and molecular weight 494.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium;bis(3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate);hydrate
Also Known As: DL-Pantothenic Acid Calcium Salt, DL-Pantothenic acid hemicalcium salt, Pantothenic acid calcium salt monohydrate, (R)-Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate hydrate, Calcium (R)-3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate hydrate
| Molecular Formula | C18H34CaN2O11 |
|---|---|
| Molecular Weight | 494.18 g/mol |
| LogP | -5.9615 |
| Topological Polar Surface Area | 250.88 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 494.17886 |
| Heavy Atoms | 32 |
| Complexity | 535.2732 |
Chemical Identifiers
| CAS Number | 331748-07-3 |
|---|---|
| SMILES | CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.O.[Ca+2] |
Product Overview
(R)-Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate hydrate (CAS 331748-07-3), with molecular formula C18H34CaN2O11 and molecular weight 494.18 g/mol. IUPAC: calcium;bis(3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate);hydrate.
Chemical Property Profile of (R)-Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate hydrate
Property Insights of (R)-Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate hydrate
The XLogP value of -5.9615 indicates that (R)-Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 250.88 Ų indicates high polarity, suggesting (R)-Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (R)-Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate hydrate has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (R)-Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate hydrate?
The CAS number of (R)-Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate hydrate is 331748-07-3.
What is the molecular formula of (R)-Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate hydrate?
The molecular formula of (R)-Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate hydrate is C18H34CaN2O11.
What is the molecular weight of (R)-Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate hydrate?
The molecular weight of (R)-Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate hydrate is 494.18 g/mol.
Where can I buy (R)-Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate hydrate?
You can request a quote for (R)-Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R)-Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate hydrate?
Yes, KEHONG BIO provides custom synthesis services for (R)-Calcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.