1. Primary Information
| English name: | Gemcitabine elaidate |
| CAS No.: | 210829-30-4 |
| Molecular formula: | C27H43F2N3O5 |
| Molecular weight: | 527.6 g/mol |
| SMILES: | CCCCCCCCC=CCCCCCCCC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)(F)F)O |
| Structural class: | |
| Other identifiers: |
CA-101 CO-101 CP 4126 CP-4126 CP4126 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 97% | 640 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 97% | 960 | -20℃ | in stock | - |
| Kehua Intelligence | 50mg | 97% | 3560 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl (E)-octadec-9-enoate
4.2 InChI
InChI=1S/C27H43F2N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(33)36-20-21-24(34)27(28,29)25(37-21)32-19-18-22(30)31-26(32)35/h9-10,18-19,21,24-25,34H,2-8,11-17,20H2,1H3,(H2,30,31,35)/b10-9+/t21-,24-,25-/m1/s1
4.3 InChIKey
HESSNRGIEVBPRB-QDDPNBLJSA-N
4.4 Canonical SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)(F)F)O
4.5 Isomeric SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H]1[C@H](C([C@@H](O1)N2C=CC(=NC2=O)N)(F)F)O
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
