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Details

Stereochemistry ABSOLUTE
Molecular Formula C3H5O6P.Ca.2H2O
Molecular Weight 244.151
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-PHOSPHOGLYCERALDEHYDE CALCIUM DIHYDRATE, D-

SMILES

O.O.[Ca++].O[C@H](COP([O-])([O-])=O)C=O

InChI

InChIKey=ASEUYZGPKUNHHI-LHWPGRLPSA-L
InChI=1S/C3H7O6P.Ca.2H2O/c4-1-3(5)2-9-10(6,7)8;;;/h1,3,5H,2H2,(H2,6,7,8);;2*1H2/q;+2;;/p-2/t3-;;;/m0.../s1

HIDE SMILES / InChI

Molecular Formula C3H7O6P
Molecular Weight 170.0578
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Ca
Molecular Weight 40.078
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 HO
Molecular Weight 17.0073
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
31179C27BH
Record Status Validated (UNII)
Record Version