potassium;tris(ethyl dihydrogen phosphate);hydride

C6H22KO12P3 — CID 173395794

IUPACpotassium;tris(ethyl dihydrogen phosphate);hydride
SMILESCCOP(=O)(O)O.CCOP(=O)(O)O.CCOP(=O)(O)O.[H-].[K+]
InChIInChI=1S/3C2H7O4P.K.H/c3*1-2-6-7(3,4)5;;/h3*2H2,1H3,(H2,3,4,5);;/q;;;+1;-1
InChIKeyCMAAOBMWGCOCST-UHFFFAOYSA-N
MW418.25 g/mol
LogP-2.54
Rot. Bonds6

About potassium;tris(ethyl dihydrogen phosphate);hydride

potassium;tris(ethyl dihydrogen phosphate);hydride (PubChem CID 173395794) has the molecular formula C6H22KO12P3 and a molecular weight of 418.25 g/mol. Its IUPAC name is potassium;tris(ethyl dihydrogen phosphate);hydride.

Molecular Properties

Compound Namepotassium;tris(ethyl dihydrogen phosphate);hydride
PubChem CID173395794
Molecular FormulaC6H22KO12P3
Molecular Weight418.25 g/mol
Exact Mass418.00
IUPAC Namepotassium;tris(ethyl dihydrogen phosphate);hydride
SMILESCCOP(=O)(O)O.CCOP(=O)(O)O.CCOP(=O)(O)O.[H-].[K+]
InChIInChI=1S/3C2H7O4P.K.H/c3*1-2-6-7(3,4)5;;/h3*2H2,1H3,(H2,3,4,5);;/q;;;+1;-1
InChIKeyCMAAOBMWGCOCST-UHFFFAOYSA-N
XLogP-2.54
TPSA200.28 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.25
LogP ≤ 5-2.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 87495286
CID 87495286
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CID 88518083
sodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride
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CID 54611578
CID 54611578
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copper;diethyl hydrogen phosphate
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CID 88774651
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Frequently Asked Questions

What is the IUPAC name of potassium;tris(ethyl dihydrogen phosphate);hydride?
The IUPAC name of potassium;tris(ethyl dihydrogen phosphate);hydride (CID 173395794) is potassium;tris(ethyl dihydrogen phosphate);hydride.
What is the SMILES notation for potassium;tris(ethyl dihydrogen phosphate);hydride?
The canonical SMILES for potassium;tris(ethyl dihydrogen phosphate);hydride is CCOP(=O)(O)O.CCOP(=O)(O)O.CCOP(=O)(O)O.[H-].[K+].
What is the InChIKey of potassium;tris(ethyl dihydrogen phosphate);hydride?
The InChIKey is CMAAOBMWGCOCST-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H7O4P.K.H/c3*1-2-6-7(3,4)5;;/h3*2H2,1H3,(H2,3,4,5);;/q;;;+1;-1.
What are the key properties of potassium;tris(ethyl dihydrogen phosphate);hydride?
potassium;tris(ethyl dihydrogen phosphate);hydride has a molecular weight of 418.25 g/mol, XLogP of -2.54, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;tris(ethyl dihydrogen phosphate);hydride is sourced from PubChem (CID 173395794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).