(2s,3r,5s,6s)-2,3,4,5,6-Pentahydroxycyclohexyl trihydrogen diphosphate
TL;DR: (2s,3r,5s,6s)-2,3,4,5,6-Pentahydroxycyclohexyl trihydrogen diphosphate (CAS 6341-52-2) is a chemical compound with molecular formula C6H14O12P2 and molecular weight 340.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] phosphono hydrogen phosphate
Also Known As: Inositol-1-pyrophosphate, myo-Inositol-1-pyrophosphate, Myoinositol-1-pyrophosphate, KST-1A6922, D-myo-Inositol,1-(trihydrogen diphosphate)
| Molecular Formula | C6H14O12P2 |
|---|---|
| Molecular Weight | 340.00 g/mol |
| LogP | -5.9 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.99606 |
| Heavy Atoms | 20 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 6341-52-2 |
|---|---|
| SMILES | [C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(=O)(O)OP(=O)(O)O)O)O |
| InChIKey | ZMHWIKBKXLNABI-LXOASSSBSA-N |
Product Overview
(2s,3r,5s,6s)-2,3,4,5,6-Pentahydroxycyclohexyl trihydrogen diphosphate (CAS 6341-52-2), with molecular formula C6H14O12P2 and molecular weight 340.00 g/mol. IUPAC: [(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] phosphono hydrogen phosphate.
Chemical Property Profile of (2s,3r,5s,6s)-2,3,4,5,6-Pentahydroxycyclohexyl trihydrogen diphosphate
Property Insights of (2s,3r,5s,6s)-2,3,4,5,6-Pentahydroxycyclohexyl trihydrogen diphosphate
The XLogP value of -5.9 indicates that (2s,3r,5s,6s)-2,3,4,5,6-Pentahydroxycyclohexyl trihydrogen diphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 214.0 Ų indicates high polarity, suggesting (2s,3r,5s,6s)-2,3,4,5,6-Pentahydroxycyclohexyl trihydrogen diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2s,3r,5s,6s)-2,3,4,5,6-Pentahydroxycyclohexyl trihydrogen diphosphate has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2s,3r,5s,6s)-2,3,4,5,6-Pentahydroxycyclohexyl trihydrogen diphosphate?
The CAS number of (2s,3r,5s,6s)-2,3,4,5,6-Pentahydroxycyclohexyl trihydrogen diphosphate is 6341-52-2.
What is the molecular formula of (2s,3r,5s,6s)-2,3,4,5,6-Pentahydroxycyclohexyl trihydrogen diphosphate?
The molecular formula of (2s,3r,5s,6s)-2,3,4,5,6-Pentahydroxycyclohexyl trihydrogen diphosphate is C6H14O12P2.
What is the molecular weight of (2s,3r,5s,6s)-2,3,4,5,6-Pentahydroxycyclohexyl trihydrogen diphosphate?
The molecular weight of (2s,3r,5s,6s)-2,3,4,5,6-Pentahydroxycyclohexyl trihydrogen diphosphate is 340.00 g/mol.
Where can I buy (2s,3r,5s,6s)-2,3,4,5,6-Pentahydroxycyclohexyl trihydrogen diphosphate?
You can request a quote for (2s,3r,5s,6s)-2,3,4,5,6-Pentahydroxycyclohexyl trihydrogen diphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2s,3r,5s,6s)-2,3,4,5,6-Pentahydroxycyclohexyl trihydrogen diphosphate?
Yes, KEHONG BIO provides custom synthesis services for (2s,3r,5s,6s)-2,3,4,5,6-Pentahydroxycyclohexyl trihydrogen diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.