1. Primary Information
| English name: | N-[(1S,2R,3E)-1-[(beta-D-galactopyranosyloxy)methyl]-2-hydroxy-3-heptadecen-1-yl]-pentadecanamide |
| CAS No.: | 112726-51-9 |
| Molecular formula: | C39H75NO8 |
| Molecular weight: | 686.0 g/mol |
| SMILES: | CCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCCCCCCCCCCCC)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | >99% | 4112 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]pentadecanamide
4.2 InChI
InChI=1S/C39H75NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-33(42)32(31-47-39-38(46)37(45)36(44)34(30-41)48-39)40-35(43)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h26,28,32-34,36-39,41-42,44-46H,3-25,27,29-31H2,1-2H3,(H,40,43)/b28-26+/t32-,33+,34+,36-,37-,38+,39+/m0/s1
4.3 InChIKey
RQMWEOCAOZZDMQ-BLFWNRLGSA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCCCCCCCCCCCC)O
4.5 Isomeric SMILES
CCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O
