1. Primary Information
| English name: | 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N,12,16,20,24-heptamethyl-10-oxo-7-[(3,7,11,15-tetramethyl-1-oxohexadecyl)oxy]-, inner salt, 4-oxide, (7R)- |
| CAS No.: | 207131-40-6 |
| Molecular formula: | C48H96NO8P |
| Molecular weight: | 846.3 g/mol |
| SMILES: | CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC(C)CCCC(C)CCCC(C)CCCC(C)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 25mg | In Chloroform | 2560 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | >99% | 1160 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | >99% | 1892 | -20℃ | in stock | - |
| Kehua Intelligence | 500mg | >99% | 8640 | -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(3,7,11,15-tetramethylhexadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
4.2 InChI
InChI=1S/C48H96NO8P/c1-38(2)20-14-22-40(5)24-16-26-42(7)28-18-30-44(9)34-47(50)54-36-46(37-56-58(52,53)55-33-32-49(11,12)13)57-48(51)35-45(10)31-19-29-43(8)27-17-25-41(6)23-15-21-39(3)4/h38-46H,14-37H2,1-13H3/t40?,41?,42?,43?,44?,45?,46-/m1/s1
4.3 InChIKey
UKDDQGWMHWQMBI-SOFRWFQSSA-N
4.4 Canonical SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC(C)CCCC(C)CCCC(C)CCCC(C)C
4.5 Isomeric SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC(C)CCCC(C)CCCC(C)CCCC(C)C
