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Details

Stereochemistry ACHIRAL
Molecular Formula C9H18N3O15P5.4Na.6H
Molecular Weight 661.1258
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TETRASODIUM DIETHYLENETRIAMINEPENTAMETHYLENEPHOSPHONATE

SMILES

[H+].[H+].[H+].[H+].[H+].[H+].[Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)CN(CCN(CP([O-])([O-])=O)CP([O-])([O-])=O)CCN(CP([O-])([O-])=O)CP([O-])([O-])=O

InChI

InChIKey=HLIYJADABSFDEC-UHFFFAOYSA-J
InChI=1S/C9H28N3O15P5.4Na/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;;;/q;4*+1/p-4

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
MOL RATIO 4 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H24N3O15P5
Molecular Weight 569.1668
Charge -4
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
E6DVO371LC
Record Status Validated (UNII)
Record Version