calcium;tetrapotassium;hydride;phosphono dihydrogen phosphate

H10CaK4O7P2 — CID 175271302

IUPACcalcium;tetrapotassium;hydride;phosphono dihydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)O.[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].[K+].[K+].[K+].[K+]
InChIInChI=1S/Ca.4K.H4O7P2.6H/c;;;;;1-8(2,3)7-9(4,5)6;;;;;;/h;;;;;(H2,1,2,3)(H2,4,5,6);;;;;;/q+2;4*+1;;6*-1
InChIKeyFXMXLPDTHNFPEY-UHFFFAOYSA-N
MW380.49 g/mol
LogP-12.50
Rot. Bonds2

About calcium;tetrapotassium;hydride;phosphono dihydrogen phosphate

calcium;tetrapotassium;hydride;phosphono dihydrogen phosphate (PubChem CID 175271302) has the molecular formula H10CaK4O7P2 and a molecular weight of 380.49 g/mol. Its IUPAC name is calcium;tetrapotassium;hydride;phosphono dihydrogen phosphate.

Molecular Properties

Compound Namecalcium;tetrapotassium;hydride;phosphono dihydrogen phosphate
PubChem CID175271302
Molecular FormulaH10CaK4O7P2
Molecular Weight380.49 g/mol
Exact Mass379.81
IUPAC Namecalcium;tetrapotassium;hydride;phosphono dihydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)O.[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].[K+].[K+].[K+].[K+]
InChIInChI=1S/Ca.4K.H4O7P2.6H/c;;;;;1-8(2,3)7-9(4,5)6;;;;;;/h;;;;;(H2,1,2,3)(H2,4,5,6);;;;;;/q+2;4*+1;;6*-1
InChIKeyFXMXLPDTHNFPEY-UHFFFAOYSA-N
XLogP-12.50
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 5-12.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 174478258
potassium;hydride;phosphono dihydrogen phosphate;zinc
CID 174606064
potassium;sodium;hydride;phosphono dihydrogen phosphate;trihydrate
CID 175108707
beryllium;hydride;phosphono dihydrogen phosphate
CID 174815084
pentasodium;hydride;phosphono dihydrogen phosphate;hydrofluoride
CID 173313092
magnesium;copper;hydride;phosphono dihydrogen phosphate
CID 174923611
strontium;europium;hydride;phosphono dihydrogen phosphate
CID 174763145
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CID 131872547
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Frequently Asked Questions

What is the IUPAC name of calcium;tetrapotassium;hydride;phosphono dihydrogen phosphate?
The IUPAC name of calcium;tetrapotassium;hydride;phosphono dihydrogen phosphate (CID 175271302) is calcium;tetrapotassium;hydride;phosphono dihydrogen phosphate.
What is the SMILES notation for calcium;tetrapotassium;hydride;phosphono dihydrogen phosphate?
The canonical SMILES for calcium;tetrapotassium;hydride;phosphono dihydrogen phosphate is O=P(O)(O)OP(=O)(O)O.[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].[K+].[K+].[K+].[K+].
What is the InChIKey of calcium;tetrapotassium;hydride;phosphono dihydrogen phosphate?
The InChIKey is FXMXLPDTHNFPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.4K.H4O7P2.6H/c;;;;;1-8(2,3)7-9(4,5)6;;;;;;/h;;;;;(H2,1,2,3)(H2,4,5,6);;;;;;/q+2;4*+1;;6*-1.
What are the key properties of calcium;tetrapotassium;hydride;phosphono dihydrogen phosphate?
calcium;tetrapotassium;hydride;phosphono dihydrogen phosphate has a molecular weight of 380.49 g/mol, XLogP of -12.50, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;tetrapotassium;hydride;phosphono dihydrogen phosphate is sourced from PubChem (CID 175271302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).