1. Primary Information
| English name: | D-Pentamannuronic acid |
| CAS No.: | 183668-50-0 |
| Molecular formula: | C30H42O31 |
| Molecular weight: | 898.6 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)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≥97% | 1280 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2S,3S,4S,5S,6R)-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,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-3,4,5-trihydroxyoxane-2-carboxylic acid
4.2 InChI
InChI=1S/C30H42O31/c31-1-2(32)16(21(42)43)58-27(8(1)38)55-13-4(34)10(40)29(60-18(13)23(46)47)57-15-6(36)11(41)30(61-20(15)25(50)51)56-14-5(35)9(39)28(59-19(14)24(48)49)54-12-3(33)7(37)26(52)53-17(12)22(44)45/h1-20,26-41,52H,(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)/t1-,2-,3+,4+,5+,6+,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,26+,27+,28+,29+,30+/m0/s1
4.3 InChIKey
XTVQVZDWFHITEQ-YLWRECDYSA-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)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)O)O)O)O)O)O)O)O)C(=O)O)O)O
