2,2',2''-NITRILOTRISETHYL TRI(DIHYDROGENPHOSPHATE)

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

Structure

InChI Key UITHHINVTNPXDF-UHFFFAOYSA-N
Smiles OP(=O)(O)OCCN(CCOP(=O)(O)O)CCOP(=O)(O)O
InChI
InChI=1/C6H18NO12P3/c8-20(9,10)17-4-1-7(2-5-18-21(11,12)13)3-6-19-22(14,15)16/h1-6H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H18NO12P3
Molecular Weight 389.0
AlogP -1.38
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 12.0
Polar Surface Area 203.52
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 68140-45-4
NORMAN SUSDAT
CONTENTS