2482-25-9 Purity
98%
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Specification
The molecular formula of trehalose octaacetate is C28H38O19.
The molecular weight of trehalose octaacetate is 678.6 g/mol.
The IUPAC name of trehalose octaacetate is [3,4,5-triacetyloxy-6-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate.
The InChI of trehalose octaacetate is InChI=1S/C28H38O19/c1-11(29)37-9-19-21(39-13(3)31)23(41-15(5)33)25(43-17(7)35)27(45-19)47-28-26(44-18(8)36)24(42-16(6)34)22(40-14(4)32)20(46-28)10-38-12(2)30/h19-28H,9-10H2,1-8H3.
The InChIKey of trehalose octaacetate is HWDSLHMSWAHPBA-UHFFFAOYSA-N.
The canonical SMILES of trehalose octaacetate is CC(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C.
The CAS number of trehalose octaacetate is 25018-27-3.
The DSSTox Substance ID of trehalose octaacetate is DTXSID60323429.
The XLogP3-AA value of trehalose octaacetate is -0.7.
The topological polar surface area of trehalose octaacetate is 238Ų.