D-myo-Inositol, 1-((2R)-2-(((5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl)oxy)-3-((1-oxohexadecyl)oxy)propyl hydrogen phosphate)
TL;DR: D-myo-Inositol, 1-((2R)-2-(((5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl)oxy)-3-((1-oxohexadecyl)oxy)propyl hydrogen phosphate) (CAS 88587-97-7) is a chemical compound with molecular formula C45H79O13P and molecular weight 858.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-1-hexadecanoyloxy-3-[hydroxy-[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Also Known As: D-myo-Inositol, 1-((2R)-2-(((5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl)oxy)-3-((1-oxohexadecyl)oxy)propyl hydrogen phosphate), [(2R)-1-hexadecanoyloxy-3-[hydroxy-[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
| Molecular Formula | C45H79O13P |
|---|---|
| Molecular Weight | 858.53 g/mol |
| LogP | 8.3887 |
| Topological Polar Surface Area | 209.51 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 36 |
| Exact Mass | 858.5258 |
| Heavy Atoms | 59 |
| Complexity | 1222.1204 |
Chemical Identifiers
| CAS Number | 88587-97-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
Product Overview
D-myo-Inositol, 1-((2R)-2-(((5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl)oxy)-3-((1-oxohexadecyl)oxy)propyl hydrogen phosphate) (CAS 88587-97-7), with molecular formula C45H79O13P and molecular weight 858.53 g/mol. IUPAC: [(2R)-1-hexadecanoyloxy-3-[hydroxy-[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate.
Chemical Property Profile of D-myo-Inositol, 1-((2R)-2-(((5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl)oxy)-3-((1-oxohexadecyl)oxy)propyl hydrogen phosphate)
Property Insights of D-myo-Inositol, 1-((2R)-2-(((5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl)oxy)-3-((1-oxohexadecyl)oxy)propyl hydrogen phosphate)
The XLogP value of 8.3887 indicates that D-myo-Inositol, 1-((2R)-2-(((5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl)oxy)-3-((1-oxohexadecyl)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 D-myo-Inositol, 1-((2R)-2-(((5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl)oxy)-3-((1-oxohexadecyl)oxy)propyl hydrogen phosphate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D-myo-Inositol, 1-((2R)-2-(((5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl)oxy)-3-((1-oxohexadecyl)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 D-myo-Inositol, 1-((2R)-2-(((5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl)oxy)-3-((1-oxohexadecyl)oxy)propyl hydrogen phosphate)?
The CAS number of D-myo-Inositol, 1-((2R)-2-(((5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl)oxy)-3-((1-oxohexadecyl)oxy)propyl hydrogen phosphate) is 88587-97-7.
What is the molecular formula of D-myo-Inositol, 1-((2R)-2-(((5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl)oxy)-3-((1-oxohexadecyl)oxy)propyl hydrogen phosphate)?
The molecular formula of D-myo-Inositol, 1-((2R)-2-(((5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl)oxy)-3-((1-oxohexadecyl)oxy)propyl hydrogen phosphate) is C45H79O13P.
What is the molecular weight of D-myo-Inositol, 1-((2R)-2-(((5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl)oxy)-3-((1-oxohexadecyl)oxy)propyl hydrogen phosphate)?
The molecular weight of D-myo-Inositol, 1-((2R)-2-(((5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl)oxy)-3-((1-oxohexadecyl)oxy)propyl hydrogen phosphate) is 858.53 g/mol.
Where can I buy D-myo-Inositol, 1-((2R)-2-(((5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl)oxy)-3-((1-oxohexadecyl)oxy)propyl hydrogen phosphate)?
You can request a quote for D-myo-Inositol, 1-((2R)-2-(((5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl)oxy)-3-((1-oxohexadecyl)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 D-myo-Inositol, 1-((2R)-2-(((5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl)oxy)-3-((1-oxohexadecyl)oxy)propyl hydrogen phosphate)?
Yes, KEHONG BIO provides custom synthesis services for D-myo-Inositol, 1-((2R)-2-(((5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl)oxy)-3-((1-oxohexadecyl)oxy)propyl hydrogen phosphate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.