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Details

Stereochemistry RACEMIC
Molecular Formula C10H23NO6P2.2H4N
Molecular Weight 351.3172
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Diammonium dihydrogen (((2-ethylhexyl)imino)bis(methylene))bisphosphonate

SMILES

[NH4+].[NH4+].CCCCC(CC)CN(CP(O)([O-])=O)CP(O)([O-])=O

InChI

InChIKey=QHRUBDXIOFVCOS-UHFFFAOYSA-N
InChI=1S/C10H25NO6P2.2H3N/c1-3-5-6-10(4-2)7-11(8-18(12,13)14)9-19(15,16)17;;/h10H,3-9H2,1-2H3,(H2,12,13,14)(H2,15,16,17);2*1H3

HIDE SMILES / InChI

Molecular Formula H4N
Molecular Weight 18.0385
Charge 1
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H23NO6P2
Molecular Weight 315.2402
Charge -2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
GXG99Q544E
Record Status Validated (UNII)
Record Version