DL-myo-Inositol, 1-(3-((1-oxohexadecyl)oxy)-2-((1-oxo-9-octadecenyl)oxy)propyl hydrogen phosphate), (R-(Z))-
TL;DR: DL-myo-Inositol, 1-(3-((1-oxohexadecyl)oxy)-2-((1-oxo-9-octadecenyl)oxy)propyl hydrogen phosphate), (R-(Z))- (CAS 88587-95-5) is a chemical compound with molecular formula C43H81O13P and molecular weight 836.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-1-hexadecanoyloxy-3-[hydroxy-[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (Z)-octadec-9-enoate
Also Known As: DL-myo-Inositol, 1-(3-((1-oxohexadecyl)oxy)-2-((1-oxo-9-octadecenyl)oxy)propyl hydrogen phosphate), (R-(Z))-, [(2R)-1-hexadecanoyloxy-3-[hydroxy-[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (Z)-octadec-9-enoate
| Molecular Formula | C43H81O13P |
|---|---|
| Molecular Weight | 836.54 g/mol |
| LogP | 8.2805 |
| Topological Polar Surface Area | 209.51 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 37 |
| Exact Mass | 836.5415 |
| Heavy Atoms | 57 |
| Complexity | 1059.6781 |
Chemical Identifiers
| CAS Number | 88587-95-5 |
|---|---|
| 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)CCCCCCC/C=C\CCCCCCCC |
Product Overview
DL-myo-Inositol, 1-(3-((1-oxohexadecyl)oxy)-2-((1-oxo-9-octadecenyl)oxy)propyl hydrogen phosphate), (R-(Z))- (CAS 88587-95-5), with molecular formula C43H81O13P and molecular weight 836.54 g/mol. IUPAC: [(2R)-1-hexadecanoyloxy-3-[hydroxy-[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (Z)-octadec-9-enoate.
Chemical Property Profile of DL-myo-Inositol, 1-(3-((1-oxohexadecyl)oxy)-2-((1-oxo-9-octadecenyl)oxy)propyl hydrogen phosphate), (R-(Z))-
Property Insights of DL-myo-Inositol, 1-(3-((1-oxohexadecyl)oxy)-2-((1-oxo-9-octadecenyl)oxy)propyl hydrogen phosphate), (R-(Z))-
The XLogP value of 8.2805 indicates that DL-myo-Inositol, 1-(3-((1-oxohexadecyl)oxy)-2-((1-oxo-9-octadecenyl)oxy)propyl hydrogen phosphate), (R-(Z))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 209.51 Ų indicates high polarity, suggesting DL-myo-Inositol, 1-(3-((1-oxohexadecyl)oxy)-2-((1-oxo-9-octadecenyl)oxy)propyl hydrogen phosphate), (R-(Z))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DL-myo-Inositol, 1-(3-((1-oxohexadecyl)oxy)-2-((1-oxo-9-octadecenyl)oxy)propyl hydrogen phosphate), (R-(Z))- 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 DL-myo-Inositol, 1-(3-((1-oxohexadecyl)oxy)-2-((1-oxo-9-octadecenyl)oxy)propyl hydrogen phosphate), (R-(Z))-?
The CAS number of DL-myo-Inositol, 1-(3-((1-oxohexadecyl)oxy)-2-((1-oxo-9-octadecenyl)oxy)propyl hydrogen phosphate), (R-(Z))- is 88587-95-5.
What is the molecular formula of DL-myo-Inositol, 1-(3-((1-oxohexadecyl)oxy)-2-((1-oxo-9-octadecenyl)oxy)propyl hydrogen phosphate), (R-(Z))-?
The molecular formula of DL-myo-Inositol, 1-(3-((1-oxohexadecyl)oxy)-2-((1-oxo-9-octadecenyl)oxy)propyl hydrogen phosphate), (R-(Z))- is C43H81O13P.
What is the molecular weight of DL-myo-Inositol, 1-(3-((1-oxohexadecyl)oxy)-2-((1-oxo-9-octadecenyl)oxy)propyl hydrogen phosphate), (R-(Z))-?
The molecular weight of DL-myo-Inositol, 1-(3-((1-oxohexadecyl)oxy)-2-((1-oxo-9-octadecenyl)oxy)propyl hydrogen phosphate), (R-(Z))- is 836.54 g/mol.
Where can I buy DL-myo-Inositol, 1-(3-((1-oxohexadecyl)oxy)-2-((1-oxo-9-octadecenyl)oxy)propyl hydrogen phosphate), (R-(Z))-?
You can request a quote for DL-myo-Inositol, 1-(3-((1-oxohexadecyl)oxy)-2-((1-oxo-9-octadecenyl)oxy)propyl hydrogen phosphate), (R-(Z))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DL-myo-Inositol, 1-(3-((1-oxohexadecyl)oxy)-2-((1-oxo-9-octadecenyl)oxy)propyl hydrogen phosphate), (R-(Z))-?
Yes, KEHONG BIO provides custom synthesis services for DL-myo-Inositol, 1-(3-((1-oxohexadecyl)oxy)-2-((1-oxo-9-octadecenyl)oxy)propyl hydrogen phosphate), (R-(Z))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.