calcium;trisodium;hydride;sulfo dihydrogen phosphate

H8CaNa3O7PS — CID 173350436

IUPACcalcium;trisodium;hydride;sulfo dihydrogen phosphate
SMILESO=P(O)(O)OS(=O)(=O)O.[Ca+2].[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/Ca.3Na.H3O7PS.5H/c;;;;1-8(2,3)7-9(4,5)6;;;;;/h;;;;(H2,1,2,3)(H,4,5,6);;;;;/q+2;3*+1;;5*-1
InChIKeyPHFBRRNUJBVCNE-UHFFFAOYSA-N
MW292.15 g/mol
LogP-9.91
Rot. Bonds2

About calcium;trisodium;hydride;sulfo dihydrogen phosphate

calcium;trisodium;hydride;sulfo dihydrogen phosphate (PubChem CID 173350436) has the molecular formula H8CaNa3O7PS and a molecular weight of 292.15 g/mol. Its IUPAC name is calcium;trisodium;hydride;sulfo dihydrogen phosphate.

Molecular Properties

Compound Namecalcium;trisodium;hydride;sulfo dihydrogen phosphate
PubChem CID173350436
Molecular FormulaH8CaNa3O7PS
Molecular Weight292.15 g/mol
Exact Mass291.90
IUPAC Namecalcium;trisodium;hydride;sulfo dihydrogen phosphate
SMILESO=P(O)(O)OS(=O)(=O)O.[Ca+2].[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/Ca.3Na.H3O7PS.5H/c;;;;1-8(2,3)7-9(4,5)6;;;;;/h;;;;(H2,1,2,3)(H,4,5,6);;;;;/q+2;3*+1;;5*-1
InChIKeyPHFBRRNUJBVCNE-UHFFFAOYSA-N
XLogP-9.91
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 5-9.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze calcium;trisodium;hydride;sulfo dihydrogen 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

bis(sulfo dihydrogen phosphate);sulfuric acid
CID 173418337
azane;sulfo dihydrogen phosphate
CID 173203542
azane;sulfo dihydrogen phosphate;zinc
CID 175237614
[hydroxy(sulfooxy)phosphoryl]phosphonic acid
CID 150163051
sodium;alumane;hydride;phosphono dihydrogen phosphate;sulfuric acid
CID 174325023
dicalcium;magnesium;hydride;phosphoric acid;sulfuric acid
CID 174825313
[difluoro-[hydroxy(sulfooxy)phosphoryl]methyl]phosphonic acid
CID 87348536
dihydroxyphosphinothioyl hydrogen sulfate
CID 174609403
diaminophosphoryl hydrogen sulfate
CID 174774826
[hydroxy(sulfooxy)phosphoryl] methanesulfonate
CID 150540601
potassium;sodium;azane;hydride;phosphoric acid;sulfuric acid
CID 173414415
sulfooxy dihydrogen phosphate
CID 20982148

Frequently Asked Questions

What is the IUPAC name of calcium;trisodium;hydride;sulfo dihydrogen phosphate?
The IUPAC name of calcium;trisodium;hydride;sulfo dihydrogen phosphate (CID 173350436) is calcium;trisodium;hydride;sulfo dihydrogen phosphate.
What is the SMILES notation for calcium;trisodium;hydride;sulfo dihydrogen phosphate?
The canonical SMILES for calcium;trisodium;hydride;sulfo dihydrogen phosphate is O=P(O)(O)OS(=O)(=O)O.[Ca+2].[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].
What is the InChIKey of calcium;trisodium;hydride;sulfo dihydrogen phosphate?
The InChIKey is PHFBRRNUJBVCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.3Na.H3O7PS.5H/c;;;;1-8(2,3)7-9(4,5)6;;;;;/h;;;;(H2,1,2,3)(H,4,5,6);;;;;/q+2;3*+1;;5*-1.
What are the key properties of calcium;trisodium;hydride;sulfo dihydrogen phosphate?
calcium;trisodium;hydride;sulfo dihydrogen phosphate has a molecular weight of 292.15 g/mol, XLogP of -9.91, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;trisodium;hydride;sulfo dihydrogen phosphate is sourced from PubChem (CID 173350436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).