2-Deoxyglucose
(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal
Molecular Identity
2-Deoxyglucose
(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal
PubChem CID: 108223
2D Structure
Properties
C6H12O5
Molecular Formula
164.16
Molecular Weight
g/mol
164.0685
Exact Mass
Da
-2.9
XLogP
Drug-like (Lipinski: < 5)
98
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
5
H-Bond Acceptors
116
Complexity
SMILES
Canonical SMILES
SMILES: C(C=O)C(C(C(CO)O)O)OIsomeric SMILES
SMILES: C(C=O)[C@H]([C@@H]([C@@H](CO)O)O)OSynonyms(20)
2-deoxy-D-glucose154-17-6Deoxyglucose2-deoxyglucose(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal2-Desoxy-D-glucose2-Deoxy-D-mannoseD-2-Deoxyglucose2 DeoxyglucoseD-arabino-2-desoxyhexose2 Deoxy D glucose2 Desoxy D glucoseD-Arabino-hexose, 2-deoxy-9G2MP84A8WDTXSID1037648
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 2-Deoxyglucose
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