SODIUM XYLO-HEX-2-ULOSONATE

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Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key OFCZUBZXJNUXBT-HAYYNCRMSA-M
Smiles [Na+].OC[C@@H](O)[C@H](O)[C@@H](O)C(=O)C(=O)[O-]
InChI
InChI=1/C6H10O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-4,7-10H,1H2,(H,12,13);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H9NaO7
Molecular Weight 216.02
AlogP -7.62
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 138.12
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 36389-86-3
NORMAN SUSDAT
CONTENTS