tripotassium;[acetyloxy(oxido)phosphoryl] phosphate

C2H3K3O8P2 — CID 140751973

IUPACtripotassium;[acetyloxy(oxido)phosphoryl] phosphate
SMILESCC(=O)OP(=O)([O-])OP(=O)([O-])[O-].[K+].[K+].[K+]
InChIInChI=1S/C2H6O8P2.3K/c1-2(3)9-12(7,8)10-11(4,5)6;;;/h1H3,(H,7,8)(H2,4,5,6);;;/q;3*+1/p-3
InChIKeyMNPVDMLEUQGCNN-UHFFFAOYSA-K
MW334.28 g/mol
LogP-11.12
Rot. Bonds3

About tripotassium;[acetyloxy(oxido)phosphoryl] phosphate

tripotassium;[acetyloxy(oxido)phosphoryl] phosphate (PubChem CID 140751973) has the molecular formula C2H3K3O8P2 and a molecular weight of 334.28 g/mol. Its IUPAC name is tripotassium;[acetyloxy(oxido)phosphoryl] phosphate.

Molecular Properties

Compound Nametripotassium;[acetyloxy(oxido)phosphoryl] phosphate
PubChem CID140751973
Molecular FormulaC2H3K3O8P2
Molecular Weight334.28 g/mol
Exact Mass333.82
IUPAC Nametripotassium;[acetyloxy(oxido)phosphoryl] phosphate
SMILESCC(=O)OP(=O)([O-])OP(=O)([O-])[O-].[K+].[K+].[K+]
InChIInChI=1S/C2H6O8P2.3K/c1-2(3)9-12(7,8)10-11(4,5)6;;;/h1H3,(H,7,8)(H2,4,5,6);;;/q;3*+1/p-3
InChIKeyMNPVDMLEUQGCNN-UHFFFAOYSA-K
XLogP-11.12
TPSA138.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 5-11.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

magnesium bis(diacetyl phosphate)
CID 71300565
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CID 173238390
tetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
CID 174864856
pentapotassium;methane;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 173412939
pentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 11523702
potassium;sodium;phosphono hydrogen phosphate;acetate
CID 141113302
carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 159968116
aluminum;lead(2+);[oxido(phosphonatooxy)phosphoryl] phosphate
CID 174925900
tetracalcium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 161067553
tetrapotassium;tetrasodium;phosphonato phosphate
CID 19872331
tetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 91516150

Frequently Asked Questions

What is the IUPAC name of tripotassium;[acetyloxy(oxido)phosphoryl] phosphate?
The IUPAC name of tripotassium;[acetyloxy(oxido)phosphoryl] phosphate (CID 140751973) is tripotassium;[acetyloxy(oxido)phosphoryl] phosphate.
What is the SMILES notation for tripotassium;[acetyloxy(oxido)phosphoryl] phosphate?
The canonical SMILES for tripotassium;[acetyloxy(oxido)phosphoryl] phosphate is CC(=O)OP(=O)([O-])OP(=O)([O-])[O-].[K+].[K+].[K+].
What is the InChIKey of tripotassium;[acetyloxy(oxido)phosphoryl] phosphate?
The InChIKey is MNPVDMLEUQGCNN-UHFFFAOYSA-K. The full InChI is InChI=1S/C2H6O8P2.3K/c1-2(3)9-12(7,8)10-11(4,5)6;;;/h1H3,(H,7,8)(H2,4,5,6);;;/q;3*+1/p-3.
What are the key properties of tripotassium;[acetyloxy(oxido)phosphoryl] phosphate?
tripotassium;[acetyloxy(oxido)phosphoryl] phosphate has a molecular weight of 334.28 g/mol, XLogP of -11.12, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;[acetyloxy(oxido)phosphoryl] phosphate is sourced from PubChem (CID 140751973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).