偏磷酸钙
TL;DR: 偏磷酸钙 (CAS 10102-76-8) is a chemical compound with molecular formula Ca3O18P6 and molecular weight 593.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
偏磷酸钙
tricalcium;2,4,6,8,10,12-hexaoxido-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide
Also Known As: tricalcium, Calcium hexametaphosphate, Ca.xH6O18P6, Ca.x-H6-O18-P6, Metaphosphoric acid (H6P6O18), calcium salt
| Molecular Formula | Ca3O18P6 |
|---|---|
| Molecular Weight | 593.64 g/mol |
| LogP | -4.23 |
| Topological Polar Surface Area | 296.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 0 |
| Exact Mass | 593.6388 |
| Heavy Atoms | 27 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 10102-76-8 |
|---|---|
| SMILES | [O-]P1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)(O1)[O-])[O-])[O-])[O-])[O-].[Ca+2].[Ca+2].[Ca+2] |
| InChIKey | KRSIWAJXDVVKLZ-UHFFFAOYSA-H |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
偏磷酸钙 (CAS 10102-76-8), with molecular formula Ca3O18P6 and molecular weight 593.64 g/mol. IUPAC: tricalcium;2,4,6,8,10,12-hexaoxido-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide.
Chemical Property Profile of 偏磷酸钙
Property Insights of 偏磷酸钙
The XLogP value of -4.23 indicates that 偏磷酸钙 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 296.0 Ų indicates high polarity, suggesting 偏磷酸钙 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 偏磷酸钙 has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 偏磷酸钙?
The CAS number of 偏磷酸钙 is 10102-76-8.
What is the molecular formula of 偏磷酸钙?
The molecular formula of 偏磷酸钙 is Ca3O18P6.
What is the molecular weight of 偏磷酸钙?
The molecular weight of 偏磷酸钙 is 593.64 g/mol.
Where can I buy 偏磷酸钙?
You can request a quote for 偏磷酸钙 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 偏磷酸钙?
Yes, KEHONG BIO provides custom synthesis services for 偏磷酸钙 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.