1. Primary Information
| English name: | CID 71307057 |
| CAS No.: | 68610-92-4 |
| Molecular formula: | C25H50ClNO16 |
| Molecular weight: | 656.1 g/mol |
| SMILES: | C[N+](C)(C)CC(COCCOC1C(C(C(OC1O)COCO)OC2C(C(C(C(O2)CO)OCCO)OCCO)O)O)O.[Cl-] |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5g | BR | 76 | RT | in stock | - |
| Kehua Intelligence | 25g | BR | 230 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[3-[2-[(2R,3R,4S,5S,6R)-2,4-dihydroxy-5-[(3R,4R,5R,6R)-3-hydroxy-4,5-bis(2-hydroxyethoxy)-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethoxymethyl)oxan-3-yl]oxyethoxy]-2-hydroxypropyl]-trimethylazanium;chloride
4.2 InChI
InChI=1S/C25H50NO16.ClH/c1-26(2,3)10-15(31)12-35-8-9-39-23-18(32)20(17(13-36-14-30)40-24(23)34)42-25-19(33)22(38-7-5-28)21(37-6-4-27)16(11-29)41-25;/h15-25,27-34H,4-14H2,1-3H3;1H/q+1;/p-1/t15?,16-,17-,18+,19-,20-,21-,22-,23-,24-,25?;/m1./s1
4.3 InChIKey
FQOVCYRTDMQFLY-QZUVRZIUSA-M
4.4 Canonical SMILES
C[N+](C)(C)CC(COCCOC1C(C(C(OC1O)COCO)OC2C(C(C(C(O2)CO)OCCO)OCCO)O)O)O.[Cl-]
4.5 Isomeric SMILES
C[N+](C)(C)CC(COCCO[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COCO)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OCCO)OCCO)O)O)O.[Cl-]
