Calcium saccharose phosphate
TL;DR: Calcium saccharose phosphate (CAS 4106-18-7) is a chemical compound with molecular formula C12H21CaO14P and molecular weight 460.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium (2S,3R,4R,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-5-hydroxy-6-(hydroxymethyl)-2-phosphonooxyoxane-3,4-diolate
Also Known As: Calcium saccharose phosphate, alpha-D-Glucopyranoside, beta-D-fructofuranosyl, mono(dihydrogen phosphate), calcium salt, calcium (2S,3R,4R,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-5-hydroxy-6-(hydroxymethyl)-2-phosphonooxyoxane-3,4-diolate, calcium(2s,3r,4s,5r,6r)-2-[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-5-hydroxy-6-(hydroxymethyl)-2-(phosphonooxy)tetrahydro-2h-pyran-3,4-diolate(non-preferred name)
| Molecular Formula | C12H21CaO14P |
|---|---|
| Molecular Weight | 460.03 g/mol |
| LogP | -7.535 |
| Topological Polar Surface Area | 253.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.02948 |
| Heavy Atoms | 28 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 4106-18-7 |
|---|---|
| SMILES | C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)[C@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)[O-])[O-])OP(=O)(O)O)O)O)O.[Ca+2] |
| InChIKey | QAPPUQDHNDJKGK-RLOFLVODSA-N |
Product Overview
Calcium saccharose phosphate (CAS 4106-18-7), with molecular formula C12H21CaO14P and molecular weight 460.03 g/mol. IUPAC: calcium (2S,3R,4R,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-5-hydroxy-6-(hydroxymethyl)-2-phosphonooxyoxane-3,4-diolate.
Chemical Property Profile of Calcium saccharose phosphate
Property Insights of Calcium saccharose phosphate
The XLogP value of -7.535 indicates that Calcium saccharose phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 253.0 Ų indicates high polarity, suggesting Calcium saccharose phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcium saccharose phosphate has 8 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 Calcium saccharose phosphate?
The CAS number of Calcium saccharose phosphate is 4106-18-7.
What is the molecular formula of Calcium saccharose phosphate?
The molecular formula of Calcium saccharose phosphate is C12H21CaO14P.
What is the molecular weight of Calcium saccharose phosphate?
The molecular weight of Calcium saccharose phosphate is 460.03 g/mol.
Where can I buy Calcium saccharose phosphate?
You can request a quote for Calcium saccharose phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium saccharose phosphate?
Yes, KEHONG BIO provides custom synthesis services for Calcium saccharose phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.