calcium;hydride;phosphanyl phosphono hydrogen phosphate

H7CaO7P3 — CID 174666980

IUPACcalcium;hydride;phosphanyl phosphono hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)OP.[Ca+2].[H-].[H-]
InChIInChI=1S/Ca.H5O7P3.2H/c;1-9(2,3)7-10(4,5)6-8;;/h;8H2,(H,4,5)(H2,1,2,3);;/q+2;;2*-1
InChIKeyWWHQOOKFRLYNPG-UHFFFAOYSA-N
MW252.05 g/mol
LogP-0.15
Rot. Bonds3

About calcium;hydride;phosphanyl phosphono hydrogen phosphate

calcium;hydride;phosphanyl phosphono hydrogen phosphate (PubChem CID 174666980) has the molecular formula H7CaO7P3 and a molecular weight of 252.05 g/mol. Its IUPAC name is calcium;hydride;phosphanyl phosphono hydrogen phosphate.

Molecular Properties

Compound Namecalcium;hydride;phosphanyl phosphono hydrogen phosphate
PubChem CID174666980
Molecular FormulaH7CaO7P3
Molecular Weight252.05 g/mol
Exact Mass251.90
IUPAC Namecalcium;hydride;phosphanyl phosphono hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)OP.[Ca+2].[H-].[H-]
InChIInChI=1S/Ca.H5O7P3.2H/c;1-9(2,3)7-10(4,5)6-8;;/h;8H2,(H,4,5)(H2,1,2,3);;/q+2;;2*-1
InChIKeyWWHQOOKFRLYNPG-UHFFFAOYSA-N
XLogP-0.15
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.05
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze calcium;hydride;phosphanyl phosphono hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

distrontium;diphosphono hydrogen phosphate;hydride
CID 174664429
disodium;diphosphono hydrogen phosphate;hydride
CID 174474348
pentacalcium;hydride;phosphono dihydrogen phosphate
CID 173269234
strontium;diphosphono hydrogen phosphate;hydride;indigane
CID 175142394
sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate
CID 174910527
barium(2+);diphosphono hydrogen phosphate;hydride;titanium
CID 174660912
[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 10212960
CID 170843855
CID 170843855
hexapotassium bis(diphosphono hydrogen phosphate)
CID 170923258
calcium;tetrapotassium;hydride;phosphono dihydrogen phosphate
CID 175271302
dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate
CID 174808221
alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 174679314

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;phosphanyl phosphono hydrogen phosphate?
The IUPAC name of calcium;hydride;phosphanyl phosphono hydrogen phosphate (CID 174666980) is calcium;hydride;phosphanyl phosphono hydrogen phosphate.
What is the SMILES notation for calcium;hydride;phosphanyl phosphono hydrogen phosphate?
The canonical SMILES for calcium;hydride;phosphanyl phosphono hydrogen phosphate is O=P(O)(O)OP(=O)(O)OP.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;phosphanyl phosphono hydrogen phosphate?
The InChIKey is WWHQOOKFRLYNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.H5O7P3.2H/c;1-9(2,3)7-10(4,5)6-8;;/h;8H2,(H,4,5)(H2,1,2,3);;/q+2;;2*-1.
What are the key properties of calcium;hydride;phosphanyl phosphono hydrogen phosphate?
calcium;hydride;phosphanyl phosphono hydrogen phosphate has a molecular weight of 252.05 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;phosphanyl phosphono hydrogen phosphate is sourced from PubChem (CID 174666980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).