Dipotassium glycerophosphate

CAS Number: 927-19-5
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[O-]P([O-])(OCC(CO)O)=O.[K+].[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.K.C3H7O6P
Molecular Weight
170.057
Drug-likeness
-26.125
CAS
927-19-5
InChI key
CHFUHGDBYUITQJ-QTNFYWBSSA-L
SMILES
[O-]P([O-])(OCC(CO)O)=O.[K+].[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 927-19-5
Molecule Name Dipotassium glycerophosphate
Molecular Formula K.K.C3H7O6P
SMILES [O-]P([O-])(OCC(CO)O)=O.[K+].[K+]
InChI InChI=1S/C3H9O6P.2K/c4-1-3(5)2-9-10(6,7)8;;/h3-5H,1-2H2,(H2,6,7,8);;/q;2*+1/p-2/t3-;;/m0../s1
InChI Key CHFUHGDBYUITQJ-QTNFYWBSSA-L
CanonicalSyTyLFy 2c42ca45679e1c1e
TotalMolweight 248.253
Molecular Weight 170.057
MonoisotopicMass 169.998027
CLogP -7.1826
CLogS 1.739
H Acceptors 6
H Donors 2
TotalSurfaceArea 115.05
Relative PSA 0.71082
PolarSurfaceArea 122.69
Drug-likeness -26.125
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.7
Molecula Flexibility 0.81182
Molecular Complexity 0.57565
Fragments 3
Non HAtoms 10
NonCHAtoms 7
Electronegative Atoms 7
StereoCenters 1
Rotatable Bond 4
Sp3Atoms 9
Symmetricatoms 1
AcidicOxygens 2
StereoCon racemate

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