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Inherent Properties, Identifiers and References
ChemSpider ID: 848
Empirical Formula: C18H32O16
Molecular Weight: 504.4371
Nominal Mass: 504 Da
Average Mass: 504.4371 Da
Monoisotopic Mass: 504.169035 Da
Systematic Name: hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranose
SMILES: O(C1C(OC(O)C(O)C1O)CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO Copy
InChI: InChI=1/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32​-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3​H2 Copy
InChIKey: FYGDTMLNYKFZSV-UHFFFAOYAF
Std. InChI: InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)3​2-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-​3H2 Copy
Std. InChIKey: FYGDTMLNYKFZSV-UHFFFAOYSA-N
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Predicted Properties
SimBioSys LASSO