D-肌醇-3,4,5,6-四磷酸
TL;DR: D-肌醇-3,4,5,6-四磷酸 (CAS 112791-61-4) is a chemical compound with molecular formula C6H16O18P4 and molecular weight 499.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
D-肌醇-3,4,5,6-四磷酸
[(1S,2S,3R,4S,5R,6R)-2,3-dihydroxy-4,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate
Also Known As: 1D-myo-Inositol 3,4,5,6-tetrakisphosphate, D-myo-Inositol 3,4,5,6-tetrakisphosphate, Ins(3,4,5,6)P4, Myo-Inositol Impurity 3, Inositol-3,4,5,6-tetraphosphate
| Molecular Formula | C6H16O18P4 |
|---|---|
| Molecular Weight | 499.93 g/mol |
| LogP | -8.1 |
| Topological Polar Surface Area | 308.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.9287 |
| Heavy Atoms | 28 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 112791-61-4 |
|---|---|
| SMILES | [C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O |
| InChIKey | MRVYFOANPDTYBY-UZAAGFTCSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
D-肌醇-3,4,5,6-四磷酸 (CAS 112791-61-4), with molecular formula C6H16O18P4 and molecular weight 499.93 g/mol. IUPAC: [(1S,2S,3R,4S,5R,6R)-2,3-dihydroxy-4,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate.
Chemical Property Profile of D-肌醇-3,4,5,6-四磷酸
Property Insights of D-肌醇-3,4,5,6-四磷酸
The XLogP value of -8.1 indicates that D-肌醇-3,4,5,6-四磷酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 308.0 Ų indicates high polarity, suggesting D-肌醇-3,4,5,6-四磷酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D-肌醇-3,4,5,6-四磷酸 has 10 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 D-肌醇-3,4,5,6-四磷酸?
The CAS number of D-肌醇-3,4,5,6-四磷酸 is 112791-61-4.
What is the molecular formula of D-肌醇-3,4,5,6-四磷酸?
The molecular formula of D-肌醇-3,4,5,6-四磷酸 is C6H16O18P4.
What is the molecular weight of D-肌醇-3,4,5,6-四磷酸?
The molecular weight of D-肌醇-3,4,5,6-四磷酸 is 499.93 g/mol.
Where can I buy D-肌醇-3,4,5,6-四磷酸?
You can request a quote for D-肌醇-3,4,5,6-四磷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-肌醇-3,4,5,6-四磷酸?
Yes, KEHONG BIO provides custom synthesis services for D-肌醇-3,4,5,6-四磷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.