calcium;bis(dioxido(oxo)phosphanium);hydron

H2CaO6P2+2 — CID 158864827

IUPACcalcium;bis(dioxido(oxo)phosphanium);hydron
SMILESO=[P+]([O-])[O-].O=[P+]([O-])[O-].[Ca+2].[H+].[H+]
InChIInChI=1S/Ca.2HO3P/c;2*1-4(2)3/h;2*(H,1,2,3)/q+2;;
InChIKeyROPDWRCJTIRLTR-UHFFFAOYSA-N
MW200.04 g/mol
LogP-3.43
Rot. Bonds

About calcium;bis(dioxido(oxo)phosphanium);hydron

calcium;bis(dioxido(oxo)phosphanium);hydron (PubChem CID 158864827) has the molecular formula H2CaO6P2+2 and a molecular weight of 200.04 g/mol. Its IUPAC name is calcium;bis(dioxido(oxo)phosphanium);hydron.

Molecular Properties

Compound Namecalcium;bis(dioxido(oxo)phosphanium);hydron
PubChem CID158864827
Molecular FormulaH2CaO6P2+2
Molecular Weight200.04 g/mol
Exact Mass199.89
IUPAC Namecalcium;bis(dioxido(oxo)phosphanium);hydron
SMILESO=[P+]([O-])[O-].O=[P+]([O-])[O-].[Ca+2].[H+].[H+]
InChIInChI=1S/Ca.2HO3P/c;2*1-4(2)3/h;2*(H,1,2,3)/q+2;;
InChIKeyROPDWRCJTIRLTR-UHFFFAOYSA-N
XLogP-3.43
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.04
LogP ≤ 5-3.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dicalcium;sodium;pentakis(dioxido(oxo)phosphanium)
CID 138394183
bis(dioxido(oxo)phosphanium);bis(tin(2+) dihydride)
CID 173093739
CID 19762996
CID 19762996
dioxido(oxo)phosphanium;nickel(2+)
CID 15829259
dimagnesium bis(dioxido(oxo)phosphanium)
CID 157296666
pentakis(dioxido(oxo)phosphanium);bis(niobium(5+))
CID 158087475
bis(antimony(3+));tris(dioxido(oxo)phosphanium)
CID 157498599
tripotassium;cerium(3+);bis(dioxido(oxo)phosphanium)
CID 53249695
dioxido(oxo)phosphanium;ethene
CID 19438484
carbanide;tris(dioxido(oxo)phosphanium);bis(zirconium(4+))
CID 174768378
lithium;dioxido(oxo)phosphanium;iron(2+)
CID 161433498
aluminum;sodium;tetrakis(dioxido(oxo)phosphanium)
CID 173111312

Frequently Asked Questions

What is the IUPAC name of calcium;bis(dioxido(oxo)phosphanium);hydron?
The IUPAC name of calcium;bis(dioxido(oxo)phosphanium);hydron (CID 158864827) is calcium;bis(dioxido(oxo)phosphanium);hydron.
What is the SMILES notation for calcium;bis(dioxido(oxo)phosphanium);hydron?
The canonical SMILES for calcium;bis(dioxido(oxo)phosphanium);hydron is O=[P+]([O-])[O-].O=[P+]([O-])[O-].[Ca+2].[H+].[H+].
What is the InChIKey of calcium;bis(dioxido(oxo)phosphanium);hydron?
The InChIKey is ROPDWRCJTIRLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.2HO3P/c;2*1-4(2)3/h;2*(H,1,2,3)/q+2;;.
What are the key properties of calcium;bis(dioxido(oxo)phosphanium);hydron?
calcium;bis(dioxido(oxo)phosphanium);hydron has a molecular weight of 200.04 g/mol, XLogP of -3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;bis(dioxido(oxo)phosphanium);hydron is sourced from PubChem (CID 158864827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).