calcium;oxygen(2-);phosphane

H3CaOP — CID 172824556

IUPACcalcium;oxygen(2-);phosphane
SMILESP.[Ca+2].[O-2]
InChIInChI=1S/Ca.O.H3P/h;;1H3/q+2;-2;
InChIKeyURKFYEZACZUHCI-UHFFFAOYSA-N
MW90.08 g/mol
LogP-0.44
Rot. Bonds

About calcium;oxygen(2-);phosphane

calcium;oxygen(2-);phosphane (PubChem CID 172824556) has the molecular formula H3CaOP and a molecular weight of 90.08 g/mol. Its IUPAC name is calcium;oxygen(2-);phosphane.

Molecular Properties

Compound Namecalcium;oxygen(2-);phosphane
PubChem CID172824556
Molecular FormulaH3CaOP
Molecular Weight90.08 g/mol
Exact Mass89.95
IUPAC Namecalcium;oxygen(2-);phosphane
SMILESP.[Ca+2].[O-2]
InChIInChI=1S/Ca.O.H3P/h;;1H3/q+2;-2;
InChIKeyURKFYEZACZUHCI-UHFFFAOYSA-N
XLogP-0.44
TPSA28.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.08
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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molybdenum;phosphane;vanadium
CID 24942421
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CID 172757405
dicalcium;oxygen(2-);hydrate
CID 175811534
iron;molybdenum;tris(oxygen(2-))
CID 173070418
calcium;phosphane;sulfide
CID 172734156
iron;molybdenum;phosphane
CID 158652152
oxygen(2-)
CID 134158454
molybdenum;nickel;phosphane;zinc
CID 175237508
cobalt;molybdenum;tris(oxygen(2-));tungsten
CID 173366890
calcium;strontium;hydride;phosphane
CID 174566222

Frequently Asked Questions

What is the IUPAC name of calcium;oxygen(2-);phosphane?
The IUPAC name of calcium;oxygen(2-);phosphane (CID 172824556) is calcium;oxygen(2-);phosphane.
What is the SMILES notation for calcium;oxygen(2-);phosphane?
The canonical SMILES for calcium;oxygen(2-);phosphane is P.[Ca+2].[O-2].
What is the InChIKey of calcium;oxygen(2-);phosphane?
The InChIKey is URKFYEZACZUHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.O.H3P/h;;1H3/q+2;-2;.
What are the key properties of calcium;oxygen(2-);phosphane?
calcium;oxygen(2-);phosphane has a molecular weight of 90.08 g/mol, XLogP of -0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;oxygen(2-);phosphane is sourced from PubChem (CID 172824556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).