myo-Inositol, 1((2R)-2-(((9Z,12Z)-1-oxo-9,12-octadecadienyl)oxy)-3-((1-oxooctadecyl)oxy)propyl hydrogen phosphate)
TL;DR: myo-Inositol, 1((2R)-2-(((9Z,12Z)-1-oxo-9,12-octadecadienyl)oxy)-3-((1-oxooctadecyl)oxy)propyl hydrogen phosphate) (CAS 88587-96-6) is a chemical compound with molecular formula C45H83O13P and molecular weight 862.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-3-[hydroxy-[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] octadecanoate
Also Known As: myo-Inositol, 1((2R)-2-(((9Z,12Z)-1-oxo-9,12-octadecadienyl)oxy)-3-((1-oxooctadecyl)oxy)propyl hydrogen phosphate), [(2R)-3-[hydroxy-[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] octadecanoate
| Molecular Formula | C45H83O13P |
|---|---|
| Molecular Weight | 862.56 g/mol |
| LogP | 8.8367 |
| Topological Polar Surface Area | 209.51 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 38 |
| Exact Mass | 862.5571 |
| Heavy Atoms | 59 |
| Complexity | 1134.909 |
Chemical Identifiers
| CAS Number | 88587-96-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
Product Overview
myo-Inositol, 1((2R)-2-(((9Z,12Z)-1-oxo-9,12-octadecadienyl)oxy)-3-((1-oxooctadecyl)oxy)propyl hydrogen phosphate) (CAS 88587-96-6), with molecular formula C45H83O13P and molecular weight 862.56 g/mol. IUPAC: [(2R)-3-[hydroxy-[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] octadecanoate.
Chemical Property Profile of myo-Inositol, 1((2R)-2-(((9Z,12Z)-1-oxo-9,12-octadecadienyl)oxy)-3-((1-oxooctadecyl)oxy)propyl hydrogen phosphate)
Property Insights of myo-Inositol, 1((2R)-2-(((9Z,12Z)-1-oxo-9,12-octadecadienyl)oxy)-3-((1-oxooctadecyl)oxy)propyl hydrogen phosphate)
The XLogP value of 8.8367 indicates that myo-Inositol, 1((2R)-2-(((9Z,12Z)-1-oxo-9,12-octadecadienyl)oxy)-3-((1-oxooctadecyl)oxy)propyl hydrogen phosphate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 209.51 Ų indicates high polarity, suggesting myo-Inositol, 1((2R)-2-(((9Z,12Z)-1-oxo-9,12-octadecadienyl)oxy)-3-((1-oxooctadecyl)oxy)propyl hydrogen phosphate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, myo-Inositol, 1((2R)-2-(((9Z,12Z)-1-oxo-9,12-octadecadienyl)oxy)-3-((1-oxooctadecyl)oxy)propyl hydrogen phosphate) has 6 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 myo-Inositol, 1((2R)-2-(((9Z,12Z)-1-oxo-9,12-octadecadienyl)oxy)-3-((1-oxooctadecyl)oxy)propyl hydrogen phosphate)?
The CAS number of myo-Inositol, 1((2R)-2-(((9Z,12Z)-1-oxo-9,12-octadecadienyl)oxy)-3-((1-oxooctadecyl)oxy)propyl hydrogen phosphate) is 88587-96-6.
What is the molecular formula of myo-Inositol, 1((2R)-2-(((9Z,12Z)-1-oxo-9,12-octadecadienyl)oxy)-3-((1-oxooctadecyl)oxy)propyl hydrogen phosphate)?
The molecular formula of myo-Inositol, 1((2R)-2-(((9Z,12Z)-1-oxo-9,12-octadecadienyl)oxy)-3-((1-oxooctadecyl)oxy)propyl hydrogen phosphate) is C45H83O13P.
What is the molecular weight of myo-Inositol, 1((2R)-2-(((9Z,12Z)-1-oxo-9,12-octadecadienyl)oxy)-3-((1-oxooctadecyl)oxy)propyl hydrogen phosphate)?
The molecular weight of myo-Inositol, 1((2R)-2-(((9Z,12Z)-1-oxo-9,12-octadecadienyl)oxy)-3-((1-oxooctadecyl)oxy)propyl hydrogen phosphate) is 862.56 g/mol.
Where can I buy myo-Inositol, 1((2R)-2-(((9Z,12Z)-1-oxo-9,12-octadecadienyl)oxy)-3-((1-oxooctadecyl)oxy)propyl hydrogen phosphate)?
You can request a quote for myo-Inositol, 1((2R)-2-(((9Z,12Z)-1-oxo-9,12-octadecadienyl)oxy)-3-((1-oxooctadecyl)oxy)propyl hydrogen phosphate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for myo-Inositol, 1((2R)-2-(((9Z,12Z)-1-oxo-9,12-octadecadienyl)oxy)-3-((1-oxooctadecyl)oxy)propyl hydrogen phosphate)?
Yes, KEHONG BIO provides custom synthesis services for myo-Inositol, 1((2R)-2-(((9Z,12Z)-1-oxo-9,12-octadecadienyl)oxy)-3-((1-oxooctadecyl)oxy)propyl hydrogen phosphate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.