9010-71-3 Purity
96%
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Specification
The molecular formula is C7H10O6.
The molecular weight is 190.15 g/mol.
The IUPAC name is [(2R,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]methyl acetate.
The InChI is InChI=1S/C7H10O6/c1-3(8)12-2-4-5(9)6(10)7(11)13-4/h4-6,9-10H,2H2,1H3/t4-,5-,6-/m1/s1.
The InChIKey is WARRVDGJNZAMDR-HSUXUTPPSA-N.
The canonical SMILES is CC(=O)OCC1C(C(C(=O)O1)O)O.
The isomeric SMILES is CC(=O)OC[C@@H]1[C@H]([C@H](C(=O)O1)O)O.
The XLogP3-AA value is -1.4.
It has 2 hydrogen bond donor counts.
It has 6 hydrogen bond acceptor counts.