Account D-myo-Inositol, 3,4,5-tris(dihydrogen phosphate) 1-[(2R)-2-[[12-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxododecyl]oxy]-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl hydrogen phosphate], Sodium salt (1:4)
- Catalog No. :
- ACJAPS841
- CAS No. :
- 799812-70-7
- Molecular Formula :
- C49H91N3NaO24P4S+
- Molecular Weight :
- 1285.22
IUPAC Name:(2R)-3-(((((1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl)oxy)(hydroxy)phosphoryl)oxy)-2-((12-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)dodecanoyl)oxy)propyl oleate, sodium salt
![D-myo-Inositol, 3,4,5-tris(dihydrogen phosphate) 1-[(2R)-2-[[12-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxododecyl]oxy]-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl hydrogen phosphate], Sodium salt (1:4) structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | D-myo-Inositol, 3,4,5-tris(dihydrogen phosphate) 1-[(2R)-2-[[12-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxododecyl]oxy]-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl hydrogen phosphate], Sodium salt (1:4) |
|---|---|
| IUPAC Name | (2R)-3-(((((1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl)oxy)(hydroxy)phosphoryl)oxy)-2-((12-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)dodecanoyl)oxy)propyl oleate, sodium salt |
| MDL No. | MFCD22416880 |
| Molecular Formula | C49H91N3NaO24P4S+ |
| Molecular Weight | 1285.22 |
| SMILES | OP(O[C@@H]1[C@@H](O)[C@H](OP(O)(OC[C@@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)OC(CCCCCCCCCCCNC(CCCC[C@@H]2SC[C@@]3(NC(N[C@]23[H])=O)[H])=O)=O)=O)[C@H](O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O)(O)=O.[Na+] |
| InChI Key | XWAKLYTXDCWHKC-HSTWVVSQSA-N |
| Synonym | 1-oleoyl-2-[12-biotinyl(aMinododecanoyl)]-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate (sodiuM salt);18:1-12:0 Biotin PIP3;1-OLEOYL-2-[12-BIOTINYL(AMINODODECANOYL)]-SN-GLYCERO-3-PHOSPHOINOSITOL-3,4,5-TRISPHOSPHATE (SODIUM SALT);18:1-12:0 BIOTIN PIP3;1-Oleoyl-2-[12-biotinyl(aminododecanoyl)]-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate sodium |
| CAS No. | 799812-70-7 |
| PubChem CID | 145710410 |
Synthetic Route by SureRoute
2. ACJAPS841 Molecular Building Block Synthetic Route
sodium (1R,2S,3S,4S,5S,6S)-4,6-dihydroxy-5-((((R)-2-(octanoyloxy)-3-((8-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)octanoyl)oxy)propoxy)oxidophosphoryl)oxy)cyclohexane-1,2,3-triyl tris(hydrogen phosphate)
9-Octadecenoic acid (9Z)-, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[12-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxododecyl]oxy]propyl ester
9-Octadecenoic acid (9Z)-, 1,1-[(1R)-1-[19-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-3-hydroxy-3-oxido-8,15-dioxo-2,4-dioxa-7,14-diaza-3-phosphanonadec-1-yl]-1,2-ethanediyl] ester, sodium salt (1:1)