AMMONIUM GLUCOHEPTONATE

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Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
UNII BKS96P38NP
EPA CompTox DTXSID4051291

Structure

InChI Key LJQUAJOUFUSZES-WYRLRVFGSA-N
Smiles [NH4+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C([O-])=O
InChI
InChI=1S/C7H14O8.H3N/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);1H3/t2-,3-,4+,5-,6-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H17NO8
Molecular Weight 243.1
AlogP -3.97
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 6.0
Polar Surface Area 193.68
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 100897-12-9
NORMAN SUSDAT
FDA SRS BKS96P38NP
PubChem 71587380
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