myo-Inositol, 1-(2-(acetyloxy)-3-(octadecyloxy)propyl hydrogen phosphate)
TL;DR: myo-Inositol, 1-(2-(acetyloxy)-3-(octadecyloxy)propyl hydrogen phosphate) (CAS 112830-71-4) is a chemical compound with molecular formula C29H57O12P and molecular weight 628.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[hydroxy-[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-octadecoxypropan-2-yl] acetate
Also Known As: myo-Inositol, 1-(2-(acetyloxy)-3-(octadecyloxy)propyl hydrogen phosphate), [1-[hydroxy-[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-octadecoxypropan-2-yl] acetate, 1-((Hydroxy(((1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl)oxy)phosphoryl)oxy)-3-(octadecyloxy)propan-2-yl acetate, 1-({Hydroxy[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphoryl}oxy)-3-(octadecyloxy)propan-2-yl acetate, 1-[(Hydroxy{[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-3-(octadecyloxy)propan-2-yl acetate
| Molecular Formula | C29H57O12P |
|---|---|
| Molecular Weight | 628.36 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 26 |
| Exact Mass | 628.35876 |
| Heavy Atoms | 42 |
| Complexity | 725.0 |
Chemical Identifiers
| CAS Number | 112830-71-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1[C@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O)OC(=O)C |
| InChIKey | HQYCNBKCRONYHE-KCJHRSERSA-N |
Product Overview
myo-Inositol, 1-(2-(acetyloxy)-3-(octadecyloxy)propyl hydrogen phosphate) (CAS 112830-71-4), with molecular formula C29H57O12P and molecular weight 628.36 g/mol. IUPAC: [1-[hydroxy-[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-octadecoxypropan-2-yl] acetate.
Chemical Property Profile of myo-Inositol, 1-(2-(acetyloxy)-3-(octadecyloxy)propyl hydrogen phosphate)
Property Insights of myo-Inositol, 1-(2-(acetyloxy)-3-(octadecyloxy)propyl hydrogen phosphate)
The XLogP value of 4.4 indicates that myo-Inositol, 1-(2-(acetyloxy)-3-(octadecyloxy)propyl hydrogen phosphate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 192.0 Ų indicates high polarity, suggesting myo-Inositol, 1-(2-(acetyloxy)-3-(octadecyloxy)propyl hydrogen phosphate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, myo-Inositol, 1-(2-(acetyloxy)-3-(octadecyloxy)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-(2-(acetyloxy)-3-(octadecyloxy)propyl hydrogen phosphate)?
The CAS number of myo-Inositol, 1-(2-(acetyloxy)-3-(octadecyloxy)propyl hydrogen phosphate) is 112830-71-4.
What is the molecular formula of myo-Inositol, 1-(2-(acetyloxy)-3-(octadecyloxy)propyl hydrogen phosphate)?
The molecular formula of myo-Inositol, 1-(2-(acetyloxy)-3-(octadecyloxy)propyl hydrogen phosphate) is C29H57O12P.
What is the molecular weight of myo-Inositol, 1-(2-(acetyloxy)-3-(octadecyloxy)propyl hydrogen phosphate)?
The molecular weight of myo-Inositol, 1-(2-(acetyloxy)-3-(octadecyloxy)propyl hydrogen phosphate) is 628.36 g/mol.
Where can I buy myo-Inositol, 1-(2-(acetyloxy)-3-(octadecyloxy)propyl hydrogen phosphate)?
You can request a quote for myo-Inositol, 1-(2-(acetyloxy)-3-(octadecyloxy)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-(2-(acetyloxy)-3-(octadecyloxy)propyl hydrogen phosphate)?
Yes, KEHONG BIO provides custom synthesis services for myo-Inositol, 1-(2-(acetyloxy)-3-(octadecyloxy)propyl hydrogen phosphate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.