3,6-DIDEOXY-D-XYLO-HEXOSE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZP07RTT4BN
EPA CompTox DTXSID201319127

Structure

InChI Key KYPWIZMAJMNPMJ-KAZBKCHUSA-N
Smiles C[C@H]1O[C@H](O)[C@H](O)C[C@H]1O
InChI
InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12O4
Molecular Weight 148.07
AlogP -1.16
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Polar Surface Area 69.92
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 56816-60-5
NORMAN SUSDAT
FDA SRS ZP07RTT4BN
PubChem 447147
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