2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-LACTONE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 09ICI1V6AX
EPA CompTox DTXSID501291445

Structure

InChI Key NELQYZRSPDCGRQ-DBRKOABJSA-N
Smiles CC(=O)N[C@H]1C(=O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C8H13NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-7,10,12-13H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H13NO6
Molecular Weight 219.07
AlogP -2.03
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 119.58
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 19026-22-3
NORMAN SUSDAT
FDA SRS 09ICI1V6AX
PubChem 87901
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