methane;phosphoric acid

C3H21O12P3 — CID 173400304

IUPACmethane;phosphoric acid
SMILESC.C.C.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/3CH4.3H3O4P/c;;;3*1-5(2,3)4/h3*1H4;3*(H3,1,2,3,4)
InChIKeyQKOJVEADESIWQC-UHFFFAOYSA-N
MW342.11 g/mol
LogP-0.88
Rot. Bonds

About methane;phosphoric acid

methane;phosphoric acid (PubChem CID 173400304) has the molecular formula C3H21O12P3 and a molecular weight of 342.11 g/mol. Its IUPAC name is methane;phosphoric acid.

Molecular Properties

Compound Namemethane;phosphoric acid
PubChem CID173400304
Molecular FormulaC3H21O12P3
Molecular Weight342.11 g/mol
Exact Mass342.02
IUPAC Namemethane;phosphoric acid
SMILESC.C.C.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/3CH4.3H3O4P/c;;;3*1-5(2,3)4/h3*1H4;3*(H3,1,2,3,4)
InChIKeyQKOJVEADESIWQC-UHFFFAOYSA-N
XLogP-0.88
TPSA233.28 Ų
H-Bond Donors9
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.11
LogP ≤ 5-0.88
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;phosphoric acid
CID 18515646
azane;methane;phosphoric acid
CID 174060347
magnesium;hydride;methane;phosphoric acid
CID 173272827
dipotassium;hydride;methane;phosphoric acid
CID 173423611
cobalt;methane;nickel;phosphoric acid
CID 175031347
tetralithium;phosphoric acid
CID 175822939
alumane;phosphoric acid
CID 173069752
phosphane;phosphoric acid
CID 172840180
phosphoric acid;hydrate
CID 22023151
phosphane;phosphoric acid
CID 173160232
hydrogen peroxide;phosphoric acid
CID 18509931
CID 159816390
CID 159816390

Frequently Asked Questions

What is the IUPAC name of methane;phosphoric acid?
The IUPAC name of methane;phosphoric acid (CID 173400304) is methane;phosphoric acid.
What is the SMILES notation for methane;phosphoric acid?
The canonical SMILES for methane;phosphoric acid is C.C.C.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.
What is the InChIKey of methane;phosphoric acid?
The InChIKey is QKOJVEADESIWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/3CH4.3H3O4P/c;;;3*1-5(2,3)4/h3*1H4;3*(H3,1,2,3,4).
What are the key properties of methane;phosphoric acid?
methane;phosphoric acid has a molecular weight of 342.11 g/mol, XLogP of -0.88, 0 rotatable bonds, 9 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;phosphoric acid is sourced from PubChem (CID 173400304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).