2-DEOXY-2-[(1-HYDROXYETHYLIDENE)AMINO]HEXOPYRANOSE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20905442

Structure

InChI Key OVRNDRQMDRJTHS-PVFLNQBWSA-N
Smiles CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H15NO6
Molecular Weight 221.09
AlogP -2.24
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 2.0
Polar Surface Area 122.74
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 10036-64-3
NORMAN SUSDAT
PubChem 82313
CONTENTS