Pentaerythrithol diphosphonate
TL;DR: Pentaerythrithol diphosphonate (CAS 947-28-4) is a chemical compound with molecular formula C5H10O8P2 and molecular weight 259.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,9-dihydroxy-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide
Also Known As: Pentaerythrithol diphosphonate, pentaerythritol diphosphate, 3,9-dihydroxy-2,4,8,10-tetraoxa-3, J2.810.264J, 2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-dihydroxy-, 3,9-dioxide
| Molecular Formula | C5H10O8P2 |
|---|---|
| Molecular Weight | 259.99 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 259.98508 |
| Heavy Atoms | 15 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 947-28-4 |
|---|---|
| SMILES | C1C2(COP(=O)(O1)O)COP(=O)(OC2)O |
| InChIKey | JFNUMGDTFPLKIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentaerythrithol diphosphonate (CAS 947-28-4), with molecular formula C5H10O8P2 and molecular weight 259.99 g/mol. IUPAC: 3,9-dihydroxy-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecane 3,9-dioxide.
Chemical Property Profile of Pentaerythrithol diphosphonate
Property Insights of Pentaerythrithol diphosphonate
The XLogP value of -2.6 indicates that Pentaerythrithol diphosphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentaerythrithol diphosphonate. Following Lipinski's Rule of Five, Pentaerythrithol diphosphonate has 2 hydrogen bond donor(s) and 8 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 Pentaerythrithol diphosphonate?
The CAS number of Pentaerythrithol diphosphonate is 947-28-4.
What is the molecular formula of Pentaerythrithol diphosphonate?
The molecular formula of Pentaerythrithol diphosphonate is C5H10O8P2.
What is the molecular weight of Pentaerythrithol diphosphonate?
The molecular weight of Pentaerythrithol diphosphonate is 259.99 g/mol.
Where can I buy Pentaerythrithol diphosphonate?
You can request a quote for Pentaerythrithol diphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaerythrithol diphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Pentaerythrithol diphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.