SODIUM FRUCTOHEPTONATE

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Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
UNII PTI1HQO9TY
EPA CompTox DTXSID4051295

Structure

InChI Key BXKOAVJMNXYZPE-CNWMQZDFSA-M
Smiles [Na+].OCC(O)[C@@H](O)[C@@H](O)[C@@](O)(CO)C([O-])=O
InChI
InChI=1S/C7H14O8.Na/c8-1-3(10)4(11)5(12)7(15,2-9)6(13)14;/h3-5,8-12,15H,1-2H2,(H,13,14);/q;+1/p-1/t3?,4-,5-,7+;/m1./s1

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 1337-85-5
NORMAN SUSDAT
FDA SRS PTI1HQO9TY
PubChem 138394843
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