2-[18F]FLUORO-2-DEOXY-D-GLUCOSE

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Molecule Category Free-form
UNII 0Z5B2CJX4D
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key ZCXUVYAZINUVJD-AHXZWLDOSA-N
Smiles OC[C@H]1O[C@H](O)[C@H]([18F])[C@@H](O)[C@@H]1O
InChI
InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6+/m1/s1/i7-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11FO5
Molecular Weight 181.15
AlogP -1.57
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 1.0
Polar Surface Area 90.15
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 63503-12-8
ChEMBL CHEMBL1092067
FDA SRS 0Z5B2CJX4D
PubChem 450503
SureChEMBL SCHEMBL135994
CONTENTS