calcium methyl-dioxido-oxo-λ5-phosphane

CH3CaO3P — CID 59434200

IUPACcalcium methyl-dioxido-oxo-λ5-phosphane
SMILESCP(=O)([O-])[O-].[Ca+2]
InChIInChI=1S/CH5O3P.Ca/c1-5(2,3)4;/h1H3,(H2,2,3,4);/q;+2/p-2
InChIKeyLQQDLGHMZZUEBT-UHFFFAOYSA-L
MW134.08 g/mol
LogP-1.85
Rot. Bonds

About calcium methyl-dioxido-oxo-λ5-phosphane

calcium methyl-dioxido-oxo-λ5-phosphane (PubChem CID 59434200) has the molecular formula CH3CaO3P and a molecular weight of 134.08 g/mol. Its IUPAC name is calcium methyl-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Namecalcium methyl-dioxido-oxo-λ5-phosphane
PubChem CID59434200
Molecular FormulaCH3CaO3P
Molecular Weight134.08 g/mol
Exact Mass133.94
IUPAC Namecalcium methyl-dioxido-oxo-λ5-phosphane
SMILESCP(=O)([O-])[O-].[Ca+2]
InChIInChI=1S/CH5O3P.Ca/c1-5(2,3)4;/h1H3,(H2,2,3,4);/q;+2/p-2
InChIKeyLQQDLGHMZZUEBT-UHFFFAOYSA-L
XLogP-1.85
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.08
LogP ≤ 5-1.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze calcium methyl-dioxido-oxo-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dicalcium;methane;bis(methyl-dioxido-oxo-λ5-phosphane)
CID 160609044
molybdenum diphosphate
CID 22395595
pentacalcium;phosphate
CID 23104844
calcium methyl-[[methyl(oxido)phosphoryl]methyl]phosphinate
CID 87094338
amino(methyl)phosphinate
CID 18377257
tricalcium;zirconium(4+);phosphate
CID 172787637
tetracalcium;hydride;diphosphate
CID 173034518
nonacalcium;trisodium;heptaphosphate
CID 173013514
octacalcium;phosphate;pentahydrate
CID 22051766
tricalcium;silver;phosphate
CID 161015169
molybdenum;tris(vanadium);undecaphosphate
CID 18374020
tricalcium;fluoride;phosphate
CID 157125921

Frequently Asked Questions

What is the IUPAC name of calcium methyl-dioxido-oxo-λ5-phosphane?
The IUPAC name of calcium methyl-dioxido-oxo-λ5-phosphane (CID 59434200) is calcium methyl-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for calcium methyl-dioxido-oxo-λ5-phosphane?
The canonical SMILES for calcium methyl-dioxido-oxo-λ5-phosphane is CP(=O)([O-])[O-].[Ca+2].
What is the InChIKey of calcium methyl-dioxido-oxo-λ5-phosphane?
The InChIKey is LQQDLGHMZZUEBT-UHFFFAOYSA-L. The full InChI is InChI=1S/CH5O3P.Ca/c1-5(2,3)4;/h1H3,(H2,2,3,4);/q;+2/p-2.
What are the key properties of calcium methyl-dioxido-oxo-λ5-phosphane?
calcium methyl-dioxido-oxo-λ5-phosphane has a molecular weight of 134.08 g/mol, XLogP of -1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium methyl-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 59434200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).