C6-Nbd-PI
TL;DR: C6-Nbd-PI (CAS 110121-15-8) is a chemical compound with molecular formula C39H65N4O16P and molecular weight 876.4133 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-[hydroxy-[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-[6-[(4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]propyl] (Z)-octadec-9-enoate
Also Known As: C6-Nbd-PI, 1,2-(Oleoyl)-N-(6-((7-nitrobenz-2-oxa-1,3-diazo-4-yl)aminocaproyl))phosphatidylinositol, [3-[hydroxy-[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-[6-[(4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]propyl] (Z)-octadec-9-enoate, D-myo-Inositol, 1-((2-((6-((1,3-dihydro-7-nitro-4-benzofurazanyl)amino)-1-oxohexyl)oxy)-3-((1-oxo-9-octadecenyl)oxy)propyl) hydrogen phosphate), (Z)-, [3-[hydroxy-[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-[6-[(4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]propyl] (Z)-octadec-9-enoate
Technical Specifications
| Molecular Formula | C39H65N4O16P |
| Molecular Weight | 876.4133 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 301.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 32 |
| Exact Mass | 876.4133 Da |
| Heavy Atoms | 60 |
| Complexity | 1310.0 |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)OC1[C@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O)OC(=O)CCCCCNC2=C3C(=C(C=C2)[N+](=O)[O-])NON3 |
| InChIKey | VYZAUTQLNRWWCV-MVLHOLQTSA-N |
Chemical Property Profile of C6-Nbd-PI
Property Insights of C6-Nbd-PI
The XLogP value of 6.2 indicates that C6-Nbd-PI is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 301.0 Ų indicates high polarity, suggesting C6-Nbd-PI may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C6-Nbd-PI has 9 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C6-Nbd-PI?
The CAS number of C6-Nbd-PI is 110121-15-8.
What is the molecular formula of C6-Nbd-PI?
The molecular formula of C6-Nbd-PI is C39H65N4O16P.
What is the molecular weight of C6-Nbd-PI?
The molecular weight of C6-Nbd-PI is 876.4133 g/mol.
Where can I buy C6-Nbd-PI?
You can request a quote for C6-Nbd-PI directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C6-Nbd-PI?
Yes, CoreyChem provides custom synthesis services for C6-Nbd-PI and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.