1. Primary Information
| English name: | Melezitose monohydrate |
| CAS No.: | 10030-67-8 |
| Molecular formula: | C18H34O17 |
| Molecular weight: | 522.5 g/mol |
| SMILES: | C(C1C(C(C(C(O1)OC2C(C(OC2(CO)OC3C(C(C(C(O3)CO)O)O)O)CO)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 | HPLC≥98% | 120 | RT | in stock | - |
| Kehua Intelligence | 1g | ≥99% | 76 | RT | in stock | - |
| Kehua Intelligence | 5g | ≥99% | 192 | RT | in stock | - |
| Kehua Intelligence | 25g | ≥99% | 800 | RT | in stock | - |
| Kehua Intelligence | 100g | ≥99% | 2400 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydrate
4.2 InChI
InChI=1S/C18H32O16.H2O/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17;/h5-17,19-29H,1-4H2;1H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+;/m1./s1
4.3 InChIKey
CFXAVQUXSYFPDE-ZDVKUAOASA-N
4.4 Canonical SMILES
C(C1C(C(C(C(O1)OC2C(C(OC2(CO)OC3C(C(C(C(O3)CO)O)O)O)CO)O)O)O)O)O.O
4.5 Isomeric SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO)O)O)O)O)O.O
