1. Primary Information
| English name: | Araf(a1-3)[Xyl(b1-4)]Xyl(b1-4)Xyl(b1-4)aldehydo-Xyl |
| CAS No.: | 84666-93-3 |
| Molecular formula: | C25H42O21 |
| Molecular weight: | 678.6 g/mol |
| SMILES: | C1C(C(C(C(O1)OC2COC(C(C2OC3C(C(C(O3)CO)O)O)O)OC4COC(C(C4O)O)OC(CO)C(C(C=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 | 30mg | - | 3360 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2R,3R,4R)-4-[(2S,3R,4R,5R)-5-[(2S,3R,4R,5R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-2,3,5-trihydroxypentanal
4.2 InChI
InChI=1S/C25H42O21/c26-1-7(29)13(31)9(2-27)42-23-18(36)16(34)11(5-40-23)44-24-20(38)21(46-25-19(37)15(33)10(3-28)43-25)12(6-41-24)45-22-17(35)14(32)8(30)4-39-22/h1,7-25,27-38H,2-6H2/t7-,8+,9+,10-,11+,12+,13+,14-,15-,16-,17+,18+,19+,20+,21-,22-,23-,24-,25-/m0/s1
4.3 InChIKey
FQAOWTKNOXFLAA-BRKSDEAHSA-N
4.4 Canonical SMILES
C1C(C(C(C(O1)OC2COC(C(C2OC3C(C(C(O3)CO)O)O)O)OC4COC(C(C4O)O)OC(CO)C(C(C=O)O)O)O)O)O
4.5 Isomeric SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O)O)O[C@@H]4CO[C@H]([C@@H]([C@H]4O)O)O[C@H](CO)[C@@H]([C@H](C=O)O)O)O)O)O
