1. Primary Information
| English name: | Carboxymethyl-beta-cyclodextrin |
| CAS No.: | 218269-34-2 |
| Molecular formula: | C56H84O49 |
| Molecular weight: | 1541.2 g/mol |
| SMILES: | C(C1C2C(C(C(O1)OC3C(OC(C(C3OCC(=O)O)O)OC4C(OC(C(C4OCC(=O)O)O)OC5C(OC(C(C5OCC(=O)O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)COCC(=O)O)COCC(=O)O)COCC(=O)O)CO)CO)CO)O)OCC(=O)O)O |
| Structural class: | |
| Other identifiers: |
carboxymethyl-beta-cyclodextrin CM-beta-CD O-(carboxymethyl)cyclomaltoheptaose |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1g | 98% | 40 | RT | in stock | - |
| Kehua Intelligence | 5g | 98% | 144 | RT | in stock | - |
| Kehua Intelligence | 25g | 98% | 480 | RT | in stock | - |
| Kehua Intelligence | 100g | 98% | 1680 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-[[(1R,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,38,40,42-tetrakis(carboxymethoxy)-10,15-bis(carboxymethoxymethyl)-37,39,41,43,44,45,46,47,48,49-decahydroxy-20,25,30,35-tetrakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methoxy]acetic acid
4.2 InChI
InChI=1S/C56H84O49/c57-1-15-42-47(89-12-26(69)70)36(82)54(93-15)104-44-17(3-59)95-56(38(84)49(44)91-14-28(73)74)105-45-18(4-60)94-55(37(83)48(45)90-13-27(71)72)103-43-16(2-58)92-53(35(81)46(43)88-11-25(67)68)101-41-21(7-87-10-24(65)66)97-51(33(79)30(41)76)99-39-19(5-85-8-22(61)62)96-50(32(78)29(39)75)100-40-20(6-86-9-23(63)64)98-52(102-42)34(80)31(40)77/h15-21,29-60,75-84H,1-14H2,(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H,73,74)/t15-,16-,17-,18-,19-,20-,21-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m1/s1
4.3 InChIKey
CUJVBAPGYBSBHJ-YWBSARSQSA-N
4.4 Canonical SMILES
C(C1C2C(C(C(O1)OC3C(OC(C(C3OCC(=O)O)O)OC4C(OC(C(C4OCC(=O)O)O)OC5C(OC(C(C5OCC(=O)O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)COCC(=O)O)COCC(=O)O)COCC(=O)O)CO)CO)CO)O)OCC(=O)O)O
4.5 Isomeric SMILES
C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OCC(=O)O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4OCC(=O)O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OCC(=O)O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)COCC(=O)O)COCC(=O)O)COCC(=O)O)CO)CO)CO)O)OCC(=O)O)O
