1-Monomethylphosphoinositol 4,5-bisphosphate
TL;DR: 1-Monomethylphosphoinositol 4,5-bisphosphate (CAS 13008-79-2) is a chemical compound with molecular formula C7H17O15P3 and molecular weight 433.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl [(1S,2S,3R,4S,5S,6R)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl] hydrogen phosphate
Also Known As: Meinsp3, 1-Monomethylphosphoinositol 4,5-bisphosphate, KST-1A1020, methyl [(1S,2S,3R,4S,5S,6R)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl] hydrogen phosphate, (1s,2s,3r,4s,5s,6r)-3,4,6-trihydroxy-5-{[hydroxy(methoxy)phosphoryl]oxy}cyclohexane-1,2-diyl bis[dihydrogen(phosphate)]
| Molecular Formula | C7H17O15P3 |
|---|---|
| Molecular Weight | 433.98 g/mol |
| LogP | -6.5 |
| Topological Polar Surface Area | 250.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.97803 |
| Heavy Atoms | 25 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 13008-79-2 |
|---|---|
| SMILES | COP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@H]([C@@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O |
| InChIKey | AYDUDQWKUZVAGV-ARYBSUEZSA-N |
Product Overview
1-Monomethylphosphoinositol 4,5-bisphosphate (CAS 13008-79-2), with molecular formula C7H17O15P3 and molecular weight 433.98 g/mol. IUPAC: methyl [(1S,2S,3R,4S,5S,6R)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl] hydrogen phosphate.
Chemical Property Profile of 1-Monomethylphosphoinositol 4,5-bisphosphate
Property Insights of 1-Monomethylphosphoinositol 4,5-bisphosphate
The XLogP value of -6.5 indicates that 1-Monomethylphosphoinositol 4,5-bisphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 250.0 Ų indicates high polarity, suggesting 1-Monomethylphosphoinositol 4,5-bisphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Monomethylphosphoinositol 4,5-bisphosphate has 8 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Monomethylphosphoinositol 4,5-bisphosphate?
The CAS number of 1-Monomethylphosphoinositol 4,5-bisphosphate is 13008-79-2.
What is the molecular formula of 1-Monomethylphosphoinositol 4,5-bisphosphate?
The molecular formula of 1-Monomethylphosphoinositol 4,5-bisphosphate is C7H17O15P3.
What is the molecular weight of 1-Monomethylphosphoinositol 4,5-bisphosphate?
The molecular weight of 1-Monomethylphosphoinositol 4,5-bisphosphate is 433.98 g/mol.
Where can I buy 1-Monomethylphosphoinositol 4,5-bisphosphate?
You can request a quote for 1-Monomethylphosphoinositol 4,5-bisphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Monomethylphosphoinositol 4,5-bisphosphate?
Yes, KEHONG BIO provides custom synthesis services for 1-Monomethylphosphoinositol 4,5-bisphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.