1. Primary Information
| English name: | CID 88330506 |
| CAS No.: | 26873-85-8 |
| Molecular formula: | C15H27ClO12 |
| Molecular weight: | 434.82 g/mol |
| SMILES: | C1C(O1)CCl.C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10g | BR，分子量7万 | 144 | RT | in stock | - |
| Kehua Intelligence | 25g | BR，分子量7万 | 280 | RT | in stock | - |
| Kehua Intelligence | 100g | BR，分子量7万 | 960 | RT | in stock | - |
| Kehua Intelligence | 5g | BR，分子量40万 | 64 | RT | in stock | - |
| Kehua Intelligence | 25g | BR，分子量40万 | 208 | RT | in stock | - |
| Kehua Intelligence | 100g | BR，分子量40万 | 640 | RT | in stock | - |
| Kehua Intelligence | 500g | BR，分子量40万 | 2400 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-(chloromethyl)oxirane;(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
4.2 InChI
InChI=1S/C12H22O11.C3H5ClO/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12;4-1-3-2-5-3/h4-11,13-20H,1-3H2;3H,1-2H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+;/m1./s1
4.3 InChIKey
IACFXVUNKCXYJM-AKSHDPDZSA-N
4.4 Canonical SMILES
C1C(O1)CCl.C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O
4.5 Isomeric SMILES
C1C(O1)CCl.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)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 --
