I0146_SIGMA
TL;DR: I0146_SIGMA (CAS 85166-31-0) is a chemical compound with molecular formula C6H15O15P3 and molecular weight 419.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3S,4R,5S,6R)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate
Also Known As: I0146_SIGMA, L-myo-Inositol 1,2,5-trisphosphoric acid, J1.914.052K, (1S,2R,3S,4R,5S,6S)-3,5,6-Trihydroxycyclohexane-1,2,4-triyl tris(dihydrogen phosphate), {[(1S,2S,3S,4R,5S,6R)-2,3,5-trihydroxy-4,6-bis(phosphonooxy)cyclohexyl]oxy}phosphonic acid
| Molecular Formula | C6H15O15P3 |
|---|---|
| Molecular Weight | 419.96 g/mol |
| LogP | -3.4836 |
| Topological Polar Surface Area | 260.97 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.96237 |
| Heavy Atoms | 24 |
| Complexity | 573.7585 |
Chemical Identifiers
| CAS Number | 85166-31-0 |
|---|---|
| SMILES | [C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O |
Product Overview
I0146_SIGMA (CAS 85166-31-0), with molecular formula C6H15O15P3 and molecular weight 419.96 g/mol. IUPAC: [(1S,2S,3S,4R,5S,6R)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate.
Chemical Property Profile of I0146_SIGMA
Property Insights of I0146_SIGMA
The XLogP value of -3.4836 indicates that I0146_SIGMA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 260.97 Ų indicates high polarity, suggesting I0146_SIGMA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, I0146_SIGMA has 9 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of I0146_SIGMA?
The CAS number of I0146_SIGMA is 85166-31-0.
What is the molecular formula of I0146_SIGMA?
The molecular formula of I0146_SIGMA is C6H15O15P3.
What is the molecular weight of I0146_SIGMA?
The molecular weight of I0146_SIGMA is 419.96 g/mol.
Where can I buy I0146_SIGMA?
You can request a quote for I0146_SIGMA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for I0146_SIGMA?
Yes, KEHONG BIO provides custom synthesis services for I0146_SIGMA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.