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Details

Stereochemistry ACHIRAL
Molecular Formula C5H14NO.H2O4P
Molecular Weight 201.158
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHOLINE DIHYDROGEN PHOSPHATE

SMILES

OP(O)([O-])=O.C[N+](C)(C)CCO

InChI

InChIKey=LPPJNZJBKFSQGA-UHFFFAOYSA-M
InChI=1S/C5H14NO.H3O4P/c1-6(2,3)4-5-7;1-5(2,3)4/h7H,4-5H2,1-3H3;(H3,1,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula H2O4P
Molecular Weight 96.9872
Charge -1
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 C5H14NO
Molecular Weight 104.1708
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
D53S359B6B
Record Status Validated (UNII)
Record Version