L-ALANINE, GAMMA-(HYDROXYMETHYLPHOSPHINYL)-L-ALP

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

Structure

InChI Key GINJFDRNADDBIN-UHFFFAOYSA-N
Smiles [Na+].CC(NC(=O)C(C)NC(=O)C(N)CC[P](C)(O)=O)C([O-])=O
InChI
InChI=1S/C11H22N3O6P/c1-6(9(15)14-7(2)11(17)18)13-10(16)8(12)4-5-21(3,19)20/h6-8H,4-5,12H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)(H,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H22N3O6P1
Molecular Weight 323.12
AlogP 0.38
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 8.0
Polar Surface Area 165.8
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 71048-99-2
NORMAN SUSDAT
CONTENTS