calcium;azane;hydride;phosphoric acid

H11CaN2O4P — CID 174906772

IUPACcalcium;azane;hydride;phosphoric acid
SMILESN.N.O=P(O)(O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/Ca.2H3N.H3O4P.2H/c;;;1-5(2,3)4;;/h;2*1H3;(H3,1,2,3,4);;/q+2;;;;2*-1
InChIKeyVRJZINPDKDXXAW-UHFFFAOYSA-N
MW174.15 g/mol
LogP-0.76
Rot. Bonds

About calcium;azane;hydride;phosphoric acid

calcium;azane;hydride;phosphoric acid (PubChem CID 174906772) has the molecular formula H11CaN2O4P and a molecular weight of 174.15 g/mol. Its IUPAC name is calcium;azane;hydride;phosphoric acid.

Molecular Properties

Compound Namecalcium;azane;hydride;phosphoric acid
PubChem CID174906772
Molecular FormulaH11CaN2O4P
Molecular Weight174.15 g/mol
Exact Mass174.01
IUPAC Namecalcium;azane;hydride;phosphoric acid
SMILESN.N.O=P(O)(O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/Ca.2H3N.H3O4P.2H/c;;;1-5(2,3)4;;/h;2*1H3;(H3,1,2,3,4);;/q+2;;;;2*-1
InChIKeyVRJZINPDKDXXAW-UHFFFAOYSA-N
XLogP-0.76
TPSA147.76 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

undecacalcium;hydride;phosphoric acid
CID 173326872
calcium;azane;cobalt;hydride;phosphoric acid;hydrofluoride
CID 173215692
lithium;azane;hydride;phosphoric acid
CID 173015565
calcium;hydride;hydron;phosphoric acid
CID 175552956
cesium;azane;hydride;phosphoric acid
CID 174611777
calcium;barium(2+);hydride;phosphoric acid
CID 173359934
calcium;tetramagnesium;hydride;phosphoric acid
CID 174600677
calcium;hydride;phosphoric acid;hydrofluoride
CID 172998023
calcium;hydride;phosphoric acid;selane
CID 174689196
calcium;hydride;λ2-plumbane;phosphoric acid
CID 173231245
azane;phosphoric acid
CID 174789402
calcium;hydride;phosphoric acid;hydrate;hydrochloride
CID 174378394

Frequently Asked Questions

What is the IUPAC name of calcium;azane;hydride;phosphoric acid?
The IUPAC name of calcium;azane;hydride;phosphoric acid (CID 174906772) is calcium;azane;hydride;phosphoric acid.
What is the SMILES notation for calcium;azane;hydride;phosphoric acid?
The canonical SMILES for calcium;azane;hydride;phosphoric acid is N.N.O=P(O)(O)O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;azane;hydride;phosphoric acid?
The InChIKey is VRJZINPDKDXXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.2H3N.H3O4P.2H/c;;;1-5(2,3)4;;/h;2*1H3;(H3,1,2,3,4);;/q+2;;;;2*-1.
What are the key properties of calcium;azane;hydride;phosphoric acid?
calcium;azane;hydride;phosphoric acid has a molecular weight of 174.15 g/mol, XLogP of -0.76, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;azane;hydride;phosphoric acid is sourced from PubChem (CID 174906772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).