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Details

Stereochemistry ACHIRAL
Molecular Formula C9H21NO6P2.2H4N
Molecular Weight 337.2906
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Diammonium dihydrogen ((heptylimino)bis(methylene))bisphosphonate

SMILES

[NH4+].[NH4+].CCCCCCCN(CP(O)(O)=O)CP([O-])([O-])=O

InChI

InChIKey=GCKPSOJHDQNKOM-UHFFFAOYSA-N
InChI=1S/C9H23NO6P2.2H3N/c1-2-3-4-5-6-7-10(8-17(11,12)13)9-18(14,15)16;;/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16);2*1H3

HIDE SMILES / InChI

Molecular Formula C9H21NO6P2
Molecular Weight 301.2137
Charge -2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Record UNII
Q5J2TB3GGJ
Record Status Validated (UNII)
Record Version