calcium oxido-oxo-phosphooxyphosphanium

CaO5P2+2 — CID 172778798

IUPACcalcium oxido-oxo-phosphooxyphosphanium
SMILESO=[P+]([O-])O[P+](=O)[O-].[Ca+2]
InChIInChI=1S/Ca.O5P2/c;1-6(2)5-7(3)4/q+2;
InChIKeyATKORPMXSUTUMV-UHFFFAOYSA-N
MW182.02 g/mol
LogP-1.34
Rot. Bonds2

About calcium oxido-oxo-phosphooxyphosphanium

calcium oxido-oxo-phosphooxyphosphanium (PubChem CID 172778798) has the molecular formula CaO5P2+2 and a molecular weight of 182.02 g/mol. Its IUPAC name is calcium oxido-oxo-phosphooxyphosphanium.

Molecular Properties

Compound Namecalcium oxido-oxo-phosphooxyphosphanium
PubChem CID172778798
Molecular FormulaCaO5P2+2
Molecular Weight182.02 g/mol
Exact Mass181.88
IUPAC Namecalcium oxido-oxo-phosphooxyphosphanium
SMILESO=[P+]([O-])O[P+](=O)[O-].[Ca+2]
InChIInChI=1S/Ca.O5P2/c;1-6(2)5-7(3)4/q+2;
InChIKeyATKORPMXSUTUMV-UHFFFAOYSA-N
XLogP-1.34
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.02
LogP ≤ 5-1.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trisodium;oxido-oxo-phosphooxyphosphanium
CID 158317183
magnesium oxido-oxo-phosphooxyphosphanium
CID 158072289
tris(oxido-oxo-phosphooxyphosphanium);bis(rhodium(3+))
CID 175590921
dichloromethane;hafnium(4+);bis(oxido-oxo-phosphooxyphosphanium)
CID 157120314
dipotassium;dichloromethane;oxido-oxo-phosphooxyphosphanium
CID 159198248
zinc;methanol;oxido-oxo-phosphooxyphosphanium
CID 88679931
chloromethane;mercury(2+);oxido-oxo-phosphooxyphosphanium
CID 88679481
dichloromethane;bis(oxido-oxo-phosphooxyphosphanium);titanium(4+)
CID 159631897
barium(2+);dibromomethane;oxido-oxo-phosphooxyphosphanium
CID 88679802
beryllium;chloromethanol;oxido-oxo-phosphooxyphosphanium
CID 88722712
barium(2+);1,2-dichloroethane;oxido-oxo-phosphooxyphosphanium
CID 88680050
potassium hydroxy-oxo-phosphooxyphosphanium
CID 159443280

Frequently Asked Questions

What is the IUPAC name of calcium oxido-oxo-phosphooxyphosphanium?
The IUPAC name of calcium oxido-oxo-phosphooxyphosphanium (CID 172778798) is calcium oxido-oxo-phosphooxyphosphanium.
What is the SMILES notation for calcium oxido-oxo-phosphooxyphosphanium?
The canonical SMILES for calcium oxido-oxo-phosphooxyphosphanium is O=[P+]([O-])O[P+](=O)[O-].[Ca+2].
What is the InChIKey of calcium oxido-oxo-phosphooxyphosphanium?
The InChIKey is ATKORPMXSUTUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.O5P2/c;1-6(2)5-7(3)4/q+2;.
What are the key properties of calcium oxido-oxo-phosphooxyphosphanium?
calcium oxido-oxo-phosphooxyphosphanium has a molecular weight of 182.02 g/mol, XLogP of -1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for calcium oxido-oxo-phosphooxyphosphanium is sourced from PubChem (CID 172778798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).