(2R,3R,4S,5S,6R)-6-(AMINOMETHYL)TETRAHYDRO-2H-PYRAN-2,3,4,5-TETRAOL

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Molecule Category Free-form
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 FXVPOMKTIZKCTJ-VFUOTHLCSA-N
Smiles NC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C6H13NO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13NO5
Molecular Weight 179.17
AlogP -2.8
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 116.17
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 12.0

Cross References

Resources Reference
ChEMBL CHEMBL2272080
PubChem 26369107
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