2,2-[(2-HYDROXYETHYL)IMINO]BISETHYL 1,1-BIS(DIHYDROGEN PHOSPHATE)

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

Structure

InChI Key UNPMPNUEYBTJPL-UHFFFAOYSA-N
Smiles OCCN(CCO[P](O)(O)=O)CCO[P](O)(O)=O
InChI
InChI=1S/C6H17NO9P2/c8-4-1-7(2-5-15-17(9,10)11)3-6-16-18(12,13)14/h8H,1-6H2,(H2,9,10,11)(H2,12,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H17N1O9P2
Molecular Weight 309.04
AlogP -1.5
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 10.0
Polar Surface Area 156.99
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 68155-58-8
NORMAN SUSDAT
CONTENTS