(2S)-2-[(3R,4R)-3,4-Dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid;hydrate

Base Information

• Chemical Name: (2S)-2-[(3R,4R)-3,4-Dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid;hydrate
• CAS No.: 61278-30-6
• Molecular Formula: C6H10O8
• Molecular Weight: 210.14
• Hs Code.: 29322090
• DSSTox Substance ID: DTXSID40585265
• Mol file: 61278-30-6.mol

Synonyms:(2S)-2-[(3R,4R)-3,4-Dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid;hydrate;DTXSID40585265;(S)-2-((2S,3R,4R)-3,4-Dihydroxy-5-oxotetrahydrofuran-2-yl)-2-hydroxyacetic acid hydrate

Chemical Property of (2S)-2-[(3R,4R)-3,4-Dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid;hydrate

Chemical Property:

• Melting Point: 80-82°C
• PSA: 124.29000
• LogP: -2.92090
• Storage Temp.: 2-8°C
• Solubility.: Acetone (Slightly), DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 210.03756727
• Heavy Atom Count: 14
• Complexity: 237

Purity/Quality:

98%,99%, ^*data from raw suppliers

D-Glucaric acid-1,4-lactone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1(C(C(=O)OC1C(C(=O)O)O)O)O.O
• Isomeric SMILES: [C@H]1([C@H](C(=O)OC1[C@@H](C(=O)O)O)O)O.O
• Uses: Anticancer agent. D-Saccharic acid 1,4-lactone monohydrate has been used as a constituent of phosphate buffer to block incidental β-glucuronidase activity in Streptococcus pneumoniae hyaluronan lyase (SpnHL) activity assay. It has also been used as a component of reaction mixture in Iduronidase activity assay and UDP-glucuronosyltransferase 1 (UGT1A1) inhibition assay.