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

Name: Calcium;bis(dioxido(oxo)phosphanium);hydron — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

H₂CaO₆P₂+2 — CID 158864827

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Calcium;bis(dioxido(oxo)phosphanium);hydron
PubChem CID	158864827
Molecular Formula	H₂CaO₆P₂+2
Molecular Weight	200.04 g/mol
Exact Mass	199.89
IUPAC Name	calcium;bis(dioxido(oxo)phosphanium);hydron
SMILES	O=[P+]([O-])[O-].O=[P+]([O-])[O-].[Ca+2].[H+].[H+]
InChI	InChI=1S/Ca.2HO3P/c;21-4(2)3/h;2(H,1,2,3)/q+2;;
InChIKey	ROPDWRCJTIRLTR-UHFFFAOYSA-N
XLogP	-3.43
TPSA	126.38 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds
Heavy Atoms	9
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	200.04
LogP ≤ 5	-3.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

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).

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Sources

PubChem CID 158864827 — identifiers, structure, computed properties (public domain)

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