methane phosphate

CH4O4P-3 — CID 22352647

IUPACmethane phosphate
SMILESC.O=P([O-])([O-])[O-]
InChIInChI=1S/CH4.H3O4P/c;1-5(2,3)4/h1H4;(H3,1,2,3,4)/p-3
InChIKeyDUDRFISLZJPLTJ-UHFFFAOYSA-K
MW111.01 g/mol
LogP-2.19
Rot. Bonds

About methane phosphate

methane phosphate (PubChem CID 22352647) has the molecular formula CH4O4P-3 and a molecular weight of 111.01 g/mol. Its IUPAC name is methane phosphate.

Molecular Properties

Compound Namemethane phosphate
PubChem CID22352647
Molecular FormulaCH4O4P-3
Molecular Weight111.01 g/mol
Exact Mass110.99
IUPAC Namemethane phosphate
SMILESC.O=P([O-])([O-])[O-]
InChIInChI=1S/CH4.H3O4P/c;1-5(2,3)4/h1H4;(H3,1,2,3,4)/p-3
InChIKeyDUDRFISLZJPLTJ-UHFFFAOYSA-K
XLogP-2.19
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.01
LogP ≤ 5-2.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methane phosphate 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

iron(3+);methane;phosphate
CID 88850558
octadecaazanium;hexaphosphate
CID 158249396
molybdenum diphosphate
CID 22395595
tris(thorium(4+));tetraphosphate
CID 21475626
CID 23618823
CID 23618823
sodium phosphate
CID 21225609
zinc phosphate
CID 131721340
hydron;phosphate
CID 19972274
CID 23618830
CID 23618830
dipotassium diphosphate
CID 18612384
gadolinium phosphate
CID 6365243
dysprosium(3+) phosphate
CID 14671408

Frequently Asked Questions

What is the IUPAC name of methane phosphate?
The IUPAC name of methane phosphate (CID 22352647) is methane phosphate.
What is the SMILES notation for methane phosphate?
The canonical SMILES for methane phosphate is C.O=P([O-])([O-])[O-].
What is the InChIKey of methane phosphate?
The InChIKey is DUDRFISLZJPLTJ-UHFFFAOYSA-K. The full InChI is InChI=1S/CH4.H3O4P/c;1-5(2,3)4/h1H4;(H3,1,2,3,4)/p-3.
What are the key properties of methane phosphate?
methane phosphate has a molecular weight of 111.01 g/mol, XLogP of -2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane phosphate is sourced from PubChem (CID 22352647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).