1. Primary Information
| English name: | Chondroitin sulfate C sodium salt |
| CAS No.: | 12678-07-8 |
| Molecular formula: | C42H59N3O43S3-6 |
| Molecular weight: | 1390.1 g/mol |
| SMILES: | CC(=O)NC1C(C(C(OC1OC2C(C(C(OC2C(=O)[O-])OC3C(C(OC(C3O)COS(=O)(=O)[O-])OC4C(C(C(OC4C(=O)[O-])OC5C(C(OC(C5O)COS(=O)(=O)[O-])OC6C(C(C(OC6C(=O)[O-])O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)COS(=O)(=O)[O-])O)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 250mg | 90% | 72 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | 90% | 144 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 90% | 360 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | 90% | 896 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
3-[3-acetamido-4-[5-[3-acetamido-4-[5-[3-acetamido-4,5-dihydroxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-carboxylato-3,4-dihydroxyoxan-2-yl]oxy-5-hydroxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-carboxylato-3,4-dihydroxyoxan-2-yl]oxy-5-hydroxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylate
4.2 InChI
InChI=1S/C42H65N3O43S3/c1-7(46)43-13-19(52)16(49)10(4-75-89(66,67)68)78-38(13)84-29-21(54)24(57)41(87-32(29)35(61)62)83-27-15(45-9(3)48)40(80-12(18(27)51)6-77-91(72,73)74)86-30-22(55)25(58)42(88-33(30)36(63)64)82-26-14(44-8(2)47)39(79-11(17(26)50)5-76-90(69,70)71)85-28-20(53)23(56)37(65)81-31(28)34(59)60/h10-33,37-42,49-58,65H,4-6H2,1-3H3,(H,43,46)(H,44,47)(H,45,48)(H,59,60)(H,61,62)(H,63,64)(H,66,67,68)(H,69,70,71)(H,72,73,74)/p-6
4.3 InChIKey
ABHQVWCLVQDEKE-UHFFFAOYSA-H
4.4 Canonical SMILES
CC(=O)NC1C(C(C(OC1OC2C(C(C(OC2C(=O)[O-])OC3C(C(OC(C3O)COS(=O)(=O)[O-])OC4C(C(C(OC4C(=O)[O-])OC5C(C(OC(C5O)COS(=O)(=O)[O-])OC6C(C(C(OC6C(=O)[O-])O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)COS(=O)(=O)[O-])O)O
4.5 Isomeric SMILES
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