1. Primary Information
| English name: | L-Hexaguluronic acid |
| CAS No.: | 183668-74-8 |
| Molecular formula: | C36H50O37 |
| Molecular weight: | 1074.8 g/mol |
| SMILES: | C1(C(C(OC(C1O)OC2C(C(C(OC2C(=O)O)OC3C(C(C(OC3C(=O)O)OC4C(C(C(OC4C(=O)O)OC5C(C(C(OC5C(=O)O)OC6C(C(C(OC6C(=O)O)O)O)O)O)O)O)O)O)O)O)O)C(=O)O)O)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | HPLC≥90% | 1840 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-2-carboxy-6-[(2R,3S,4R,5S,6R)-2-carboxy-6-[(2R,3S,4R,5S,6R)-2-carboxy-6-[(2R,3S,4R,5S,6R)-2-carboxy-6-[(2R,3S,4R,5S,6R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
4.2 InChI
InChI=1S/C36H50O37/c37-1-2(38)19(25(50)51)69-32(9(1)45)65-15-4(40)11(47)34(71-21(15)27(54)55)67-17-6(42)13(49)36(73-23(17)29(58)59)68-18-7(43)12(48)35(72-24(18)30(60)61)66-16-5(41)10(46)33(70-22(16)28(56)57)64-14-3(39)8(44)31(62)63-20(14)26(52)53/h1-24,31-49,62H,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/t1-,2-,3+,4+,5+,6+,7+,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,31+,32+,33+,34+,35+,36+/m0/s1
4.3 InChIKey
SAJWPTZTWGBOFP-CAURGGIBSA-N
4.4 Canonical SMILES
C1(C(C(OC(C1O)OC2C(C(C(OC2C(=O)O)OC3C(C(C(OC3C(=O)O)OC4C(C(C(OC4C(=O)O)OC5C(C(C(OC5C(=O)O)OC6C(C(C(OC6C(=O)O)O)O)O)O)O)O)O)O)O)O)O)C(=O)O)O)O
4.5 Isomeric SMILES
[C@@H]1([C@@H]([C@@H](O[C@H]([C@H]1O)O[C@H]2[C@@H]([C@@H]([C@@H](O[C@H]2C(=O)O)O[C@H]3[C@@H]([C@@H]([C@@H](O[C@H]3C(=O)O)O[C@H]4[C@@H]([C@@H]([C@@H](O[C@H]4C(=O)O)O[C@H]5[C@@H]([C@@H]([C@@H](O[C@H]5C(=O)O)O[C@H]6[C@@H]([C@@H]([C@@H](O[C@H]6C(=O)O)O)O)O)O)O)O)O)O)O)O)O)C(=O)O)O)O
