calcium phosphenous acid

H2CaO4P2+2 — CID 15806572

IUPACcalcium phosphenous acid
SMILESO=PO.O=PO.[Ca+2]
InChIInChI=1S/Ca.2HO2P/c;2*1-3-2/h;2*(H,1,2)/q+2;;
InChIKeyLITFOGPYONJRNO-UHFFFAOYSA-N
MW168.04 g/mol
LogP-0.01
Rot. Bonds

About calcium phosphenous acid

calcium phosphenous acid (PubChem CID 15806572) has the molecular formula H2CaO4P2+2 and a molecular weight of 168.04 g/mol. Its IUPAC name is calcium phosphenous acid.

Molecular Properties

Compound Namecalcium phosphenous acid
PubChem CID15806572
Molecular FormulaH2CaO4P2+2
Molecular Weight168.04 g/mol
Exact Mass167.90
IUPAC Namecalcium phosphenous acid
SMILESO=PO.O=PO.[Ca+2]
InChIInChI=1S/Ca.2HO2P/c;2*1-3-2/h;2*(H,1,2)/q+2;;
InChIKeyLITFOGPYONJRNO-UHFFFAOYSA-N
XLogP-0.01
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.04
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Calcium hydrogen phosphate
CID 24441
Hydroxylapatite (Ca5(OH)(PO4)3)
CID 14781
Calcium phosphinate
CID 24618
Calcium pyrophosphate (Ca2P2O7)
CID 24632
Metaphosphoric acid (HPO3), calcium salt (2:1)
CID 16129693
Calcium dihydrogen pyrophosphate
CID 56842605
(Hydroxy(oxido)phosphoryl) phosphate
CID 4097574
Calcium hydroxide phosphate (Ca5(OH)(PO4)3)
CID 57369541
Dihydrogen diphosphate
CID 4995
Calcium phosphate, dibasic, anhydrous
CID 21651365
Diphosphonic acid
CID 6326976
Phosphono phosphate
CID 57345951

Frequently Asked Questions

What is the IUPAC name of calcium phosphenous acid?
The IUPAC name of calcium phosphenous acid (CID 15806572) is calcium phosphenous acid.
What is the SMILES notation for calcium phosphenous acid?
The canonical SMILES for calcium phosphenous acid is O=PO.O=PO.[Ca+2].
What is the InChIKey of calcium phosphenous acid?
The InChIKey is LITFOGPYONJRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.2HO2P/c;2*1-3-2/h;2*(H,1,2)/q+2;;.
What are the key properties of calcium phosphenous acid?
calcium phosphenous acid has a molecular weight of 168.04 g/mol, XLogP of -0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium phosphenous acid is sourced from PubChem (CID 15806572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).