calcium;hydride;hydroxy dihydrogen phosphate

H5CaO5P — CID 174606919

IUPACcalcium;hydride;hydroxy dihydrogen phosphate
SMILESO=P(O)(O)OO.[Ca+2].[H-].[H-]
InChIInChI=1S/Ca.H3O5P.2H/c;1-5-6(2,3)4;;/h;1H,(H2,2,3,4);;/q+2;;2*-1
InChIKeyJYBIHHHPNNNBIN-UHFFFAOYSA-N
MW156.09 g/mol
LogP-0.59
Rot. Bonds1

About calcium;hydride;hydroxy dihydrogen phosphate

calcium;hydride;hydroxy dihydrogen phosphate (PubChem CID 174606919) has the molecular formula H5CaO5P and a molecular weight of 156.09 g/mol. Its IUPAC name is calcium;hydride;hydroxy dihydrogen phosphate.

Molecular Properties

Compound Namecalcium;hydride;hydroxy dihydrogen phosphate
PubChem CID174606919
Molecular FormulaH5CaO5P
Molecular Weight156.09 g/mol
Exact Mass155.95
IUPAC Namecalcium;hydride;hydroxy dihydrogen phosphate
SMILESO=P(O)(O)OO.[Ca+2].[H-].[H-]
InChIInChI=1S/Ca.H3O5P.2H/c;1-5-6(2,3)4;;/h;1H,(H2,2,3,4);;/q+2;;2*-1
InChIKeyJYBIHHHPNNNBIN-UHFFFAOYSA-N
XLogP-0.59
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.09
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 173088443
strontium;europium;hydride;hydroxy dihydrogen phosphate;manganese
CID 174505861
pentacalcium;hydride;phosphono dihydrogen phosphate
CID 173269234
hydroxy dihydrogen phosphate;sulfuric acid;zinc
CID 174227864
calcium;tetrapotassium;hydride;phosphono dihydrogen phosphate
CID 175271302
calcium;fluoro dihydrogen phosphate;hydride
CID 174626748
undecacalcium;hydride;phosphoric acid
CID 173326872
calcium;magnesium;hydride;phosphonooxyboronic acid
CID 174726603
calcium;magnesium;fluoro dihydrogen phosphate;hydride
CID 174988719
CID 174829679
CID 174829679
potassium;azane;hydride;hydroxy phosphono hydrogen phosphate
CID 173006223
hexakis(decane);hydroxy dihydrogen phosphate
CID 173398841

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;hydroxy dihydrogen phosphate?
The IUPAC name of calcium;hydride;hydroxy dihydrogen phosphate (CID 174606919) is calcium;hydride;hydroxy dihydrogen phosphate.
What is the SMILES notation for calcium;hydride;hydroxy dihydrogen phosphate?
The canonical SMILES for calcium;hydride;hydroxy dihydrogen phosphate is O=P(O)(O)OO.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;hydroxy dihydrogen phosphate?
The InChIKey is JYBIHHHPNNNBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.H3O5P.2H/c;1-5-6(2,3)4;;/h;1H,(H2,2,3,4);;/q+2;;2*-1.
What are the key properties of calcium;hydride;hydroxy dihydrogen phosphate?
calcium;hydride;hydroxy dihydrogen phosphate has a molecular weight of 156.09 g/mol, XLogP of -0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;hydroxy dihydrogen phosphate is sourced from PubChem (CID 174606919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).