179698

(−)-2,3:4,6-Di-O-isopropylidene-2-keto-L-gulonic acid monohydrate

98%

• Synonym(s): (−)-Diaceton-2-keto-L-gulonsäure, (−)-Diacetone-2-keto-L-gulonic acid, 2,3:4,6-Di-O-isopropyliden-α-L-xylo-2-hexulofuranosonsäure, 2,3:4,6-Di-O-isopropylidene-α-L-xylo-2-hexulofuranosonic acid, Dikegulac
• Empirical Formula (Hill Notation): C₁₂H₁₈O₇ · H₂O
• CAS Number: 68539-16-2
• Molecular Weight: 292.28
• MDL number: MFCD00150517
• UNSPSC Code: 12352106
• PubChem Substance ID: 24850824
• NACRES: NA.22

Properties

• assay: 98%
• optical activity: [α]21/D −20°, c = 2 in methanol
• mp: 88-90 °C (lit.)
• storage temp.: 2-8°C
• SMILES string: [H]O[H].CC1(C)OC[C@@H]2O[C@]3(OC(C)(C)O[C@H]3[C@@H]2O1)C(O)=O
• InChI: 1S/C12H18O7.H2O/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8;/h6-8H,5H2,1-4H3,(H,13,14);1H2/t6-,7+,8-,12+;/m0./s1
• InChI key: ZFQRGFMVXLSLKZ-QCILGFJPSA-N

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)