| CAS Number | 61199-83-5 |
| Catalog Number | AG00EF8C(AGN-PC-0SZ9U7) |
| Chemical Name | L-Iduronic Acid (sodium salt) |
| IUPAC Name | sodium;(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate |
| InChI | InChI=1S/C6H10O7.Na/c7-1-2(8)4(5(10)11)13-6(12)3(1)9;/h1-4,6-9,12H,(H,10,11);/q;+1/p-1/t1-,2-,3+,4+,6?;/m0./s1 |
| InChI Key | MSXHSNHNTORCAW-CGKGIFEOSA-M |
| MDL Number | MFCD09838488 |
| Molecular Formula | C6H9NaO7 |
| Molecular Weight | 216.1212 |
| SMILES | O=C[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.[Na+] |
| Synonyms | sodium glucuronic acid,
61199-83-5,
Sodium Glucoronic,
Sodium L-Iduronate,
L-Iduronic Acid, Sodium Salt,
L-Iduronic Acid Monosodium Salt,
CTK8G0583,
4-Fluorocinnamonitrile,
L-Iduronic Acid Sodium Salt,
7182-77-6,
2073-35-0,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.121g/mol |
| Monoisotopic Mass | 216.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 130A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number