1. Primary Information
| English name: | Isomaltoheptaose |
| CAS No.: | 6513-12-8 |
| Molecular formula: | C42H72O36 |
| Molecular weight: | 1153.0 g/mol |
| SMILES: | C(C1C(C(C(C(O1)OCC(C(C(C(C=O)OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O |
| Structural class: | |
| Other identifiers: |
isomaltoheptaose |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 0.5mg | ≥94% | 5440 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2R,3S,4R,5R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4,5,6-tetrakis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexanal
4.2 InChI
InChI=1S/C42H72O36/c43-1-9-17(50)23(56)29(62)37(68-9)67-8-16(75-38-30(63)24(57)18(51)10(2-44)69-38)35(77-40-32(65)26(59)20(53)12(4-46)71-40)34(76-39-31(64)25(58)19(52)11(3-45)70-39)15(7-49)74-42-36(28(61)22(55)14(6-48)73-42)78-41-33(66)27(60)21(54)13(5-47)72-41/h7,9-48,50-66H,1-6,8H2/t9-,10-,11-,12-,13-,14-,15+,16-,17-,18-,19-,20-,21-,22-,23+,24+,25+,26+,27+,28+,29-,30-,31-,32-,33-,34-,35-,36-,37+,38-,39-,40-,41-,42-/m1/s1
4.3 InChIKey
YGMBQDCBGPAZNW-YIBJATESSA-N
4.4 Canonical SMILES
C(C1C(C(C(C(O1)OCC(C(C(C(C=O)OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O
4.5 Isomeric SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O
