SODIUM GLUCOHEPTONATE

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Keyword(s): Drinking Water Chemicals
Molecule Category Salt-form

Structure

InChI Key FMYOMWCQJXWGEN-LEHRSQHZSA-M
Smiles [Na+].OCC(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-]
InChI
InChI=1/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H13NaO8
Molecular Weight 248.05
AlogP -8.46
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 6.0
Polar Surface Area 161.51
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 31138-65-5
NORMAN SUSDAT
CONTENTS