1. Primary Information
| English name: | 2-amino-N-[(1S,2R,3E)-1-[[(O-alpha-D-galactopyranosyl-(1-->4)-O-beta-D-galactopyranosyl-(1-->4)-beta-D-glucopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-acetamide |
| CAS No.: | 1360882-59-2 |
| Molecular formula: | C38H70N2O18 |
| Molecular weight: | 843.0 g/mol |
| SMILES: | CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)NC(=O)CN)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | >98% | 13584 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-amino-N-[(E,2S,3R)-1-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]acetamide
4.2 InChI
InChI=1S/C38H70N2O18/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(44)21(40-26(45)16-39)20-53-36-32(51)29(48)34(24(18-42)55-36)58-38-33(52)30(49)35(25(19-43)56-38)57-37-31(50)28(47)27(46)23(17-41)54-37/h14-15,21-25,27-38,41-44,46-52H,2-13,16-20,39H2,1H3,(H,40,45)/b15-14+/t21-,22+,23+,24+,25+,27-,28-,29+,30+,31+,32+,33+,34+,35-,36+,37+,38-/m0/s1
4.3 InChIKey
FGNXWBYUTDBBKP-SAVSHCFUSA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)NC(=O)CN)O
4.5 Isomeric SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)NC(=O)CN)O
