1. Primary Information
| English name: | Cyclohexanamine;[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)(213C)oxan-2-yl] dihydrogen phosphate;hydrate |
| CAS No.: | 478518-99-9 |
| Molecular formula: | C18H41N2O10P |
| Molecular weight: | 477.5 g/mol |
| SMILES: | C1CCC(CC1)N.C1CCC(CC1)N.C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O.O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 250mg | - | 6160 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
cyclohexanamine;[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)(213C)oxan-2-yl] dihydrogen phosphate;hydrate
4.2 InChI
InChI=1S/2C6H13N.C6H13O9P.H2O/c2*7-6-4-2-1-3-5-6;7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;/h2*6H,1-5,7H2;2-10H,1H2,(H2,11,12,13);1H2/t;;2-,3-,4+,5-,6-;/m..1./s1/i;;6+1;
4.3 InChIKey
PHGHUASQVVQLSG-MHXAVDDSSA-N
4.4 Canonical SMILES
C1CCC(CC1)N.C1CCC(CC1)N.C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O.O
4.5 Isomeric SMILES
C1CCC(CC1)N.C1CCC(CC1)N.C([C@@H]1[C@H]([C@@H]([C@H]([13C@H](O1)OP(=O)(O)O)O)O)O)O.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 --
