1. Primary Information
| English name: | 1,2-Dierucoyl-sn-glycero-3-phosphocholine |
| CAS No.: | 51779-95-4 |
| Molecular formula: | C52H100NO8P |
| Molecular weight: | 898.3 g/mol |
| SMILES: | CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC=CCCCCCCCC |
| Structural class: | |
| Other identifiers: |
1,2-didocos-13-enoyl phoshatidylcholine |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 250mg | ≥98% | 1488 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | >99% | 216 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | >99% | 568 | -20℃ | in stock | - |
| Kehua Intelligence | 500mg | >99% | 2320 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(2R)-2,3-bis[[(Z)-docos-13-enoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
4.2 InChI
InChI=1S/C52H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,50H,6-19,24-49H2,1-5H3/b22-20-,23-21-/t50-/m1/s1
4.3 InChIKey
SDEURMLKLAEUAY-JFSPZUDSSA-N
4.4 Canonical SMILES
CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC=CCCCCCCCC
4.5 Isomeric SMILES
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
