calcium methyl-[[methyl(oxido)phosphoryl]methyl]phosphinate

C3H8CaO4P2 — CID 87094338

IUPACcalcium methyl-[[methyl(oxido)phosphoryl]methyl]phosphinate
SMILESCP(=O)([O-])CP(C)(=O)[O-].[Ca+2]
InChIInChI=1S/C3H10O4P2.Ca/c1-8(4,5)3-9(2,6)7;/h3H2,1-2H3,(H,4,5)(H,6,7);/q;+2/p-2
InChIKeyCQLLJGKXFMAFMF-UHFFFAOYSA-L
MW210.12 g/mol
LogP-0.90
Rot. Bonds2

About calcium methyl-[[methyl(oxido)phosphoryl]methyl]phosphinate

calcium methyl-[[methyl(oxido)phosphoryl]methyl]phosphinate (PubChem CID 87094338) has the molecular formula C3H8CaO4P2 and a molecular weight of 210.12 g/mol. Its IUPAC name is calcium methyl-[[methyl(oxido)phosphoryl]methyl]phosphinate.

Molecular Properties

Compound Namecalcium methyl-[[methyl(oxido)phosphoryl]methyl]phosphinate
PubChem CID87094338
Molecular FormulaC3H8CaO4P2
Molecular Weight210.12 g/mol
Exact Mass209.95
IUPAC Namecalcium methyl-[[methyl(oxido)phosphoryl]methyl]phosphinate
SMILESCP(=O)([O-])CP(C)(=O)[O-].[Ca+2]
InChIInChI=1S/C3H10O4P2.Ca/c1-8(4,5)3-9(2,6)7;/h3H2,1-2H3,(H,4,5)(H,6,7);/q;+2/p-2
InChIKeyCQLLJGKXFMAFMF-UHFFFAOYSA-L
XLogP-0.90
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.12
LogP ≤ 5-0.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

calcium methyl-dioxido-oxo-λ5-phosphane
CID 59434200
dicalcium;methane;bis(methyl-dioxido-oxo-λ5-phosphane)
CID 160609044
molybdenum diphosphate
CID 22395595
pentacalcium;phosphate
CID 23104844
amino(methyl)phosphinate
CID 18377257
sodium methyl(2-methylpropyl)phosphinate
CID 141477458
octacalcium;phosphate;pentahydrate
CID 22051766
tricalcium;silver;phosphate
CID 161015169
tricalcium;zirconium(4+);phosphate
CID 172787637
tetracalcium;hydride;diphosphate
CID 173034518
nonacalcium;trisodium;heptaphosphate
CID 173013514
molybdenum;tris(vanadium);undecaphosphate
CID 18374020

Frequently Asked Questions

What is the IUPAC name of calcium methyl-[[methyl(oxido)phosphoryl]methyl]phosphinate?
The IUPAC name of calcium methyl-[[methyl(oxido)phosphoryl]methyl]phosphinate (CID 87094338) is calcium methyl-[[methyl(oxido)phosphoryl]methyl]phosphinate.
What is the SMILES notation for calcium methyl-[[methyl(oxido)phosphoryl]methyl]phosphinate?
The canonical SMILES for calcium methyl-[[methyl(oxido)phosphoryl]methyl]phosphinate is CP(=O)([O-])CP(C)(=O)[O-].[Ca+2].
What is the InChIKey of calcium methyl-[[methyl(oxido)phosphoryl]methyl]phosphinate?
The InChIKey is CQLLJGKXFMAFMF-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H10O4P2.Ca/c1-8(4,5)3-9(2,6)7;/h3H2,1-2H3,(H,4,5)(H,6,7);/q;+2/p-2.
What are the key properties of calcium methyl-[[methyl(oxido)phosphoryl]methyl]phosphinate?
calcium methyl-[[methyl(oxido)phosphoryl]methyl]phosphinate has a molecular weight of 210.12 g/mol, XLogP of -0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium methyl-[[methyl(oxido)phosphoryl]methyl]phosphinate is sourced from PubChem (CID 87094338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).