methane;oxido-oxo-(phosphonomethyl)phosphanium

C2H8O5P2 — CID 23371503

IUPACmethane;oxido-oxo-(phosphonomethyl)phosphanium
SMILESC.O=[P+]([O-])CP(=O)(O)O
InChIInChI=1S/CH4O5P2.CH4/c2-7(3)1-8(4,5)6;/h1H2,(H2,4,5,6);1H4
InChIKeyPJHJPDPHSBVEPM-UHFFFAOYSA-N
MW174.03 g/mol
LogP-0.14
Rot. Bonds2

About methane;oxido-oxo-(phosphonomethyl)phosphanium

methane;oxido-oxo-(phosphonomethyl)phosphanium (PubChem CID 23371503) has the molecular formula C2H8O5P2 and a molecular weight of 174.03 g/mol. Its IUPAC name is methane;oxido-oxo-(phosphonomethyl)phosphanium.

Molecular Properties

Compound Namemethane;oxido-oxo-(phosphonomethyl)phosphanium
PubChem CID23371503
Molecular FormulaC2H8O5P2
Molecular Weight174.03 g/mol
Exact Mass173.98
IUPAC Namemethane;oxido-oxo-(phosphonomethyl)phosphanium
SMILESC.O=[P+]([O-])CP(=O)(O)O
InChIInChI=1S/CH4O5P2.CH4/c2-7(3)1-8(4,5)6;/h1H2,(H2,4,5,6);1H4
InChIKeyPJHJPDPHSBVEPM-UHFFFAOYSA-N
XLogP-0.14
TPSA97.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.03
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-oxo-(phosphonomethyl)phosphanium;methane
CID 88633037
dichloromethane;methane;phosphoric acid
CID 174721529
oxido-oxo-(1,2,4-triphosphonobutan-2-yl)phosphanium
CID 175047047
methane;phosphoric acid
CID 173400304
methane;phosphoric acid
CID 18515646
argon;phosphoric acid
CID 157300411
2-hydroxysilylethylphosphonic acid
CID 154176108
3-aminopropylphosphonic acid;dihydroxy(oxo)phosphanium
CID 88769819
disodium;bis(dihydrogen phosphate);dihydroxy(oxo)phosphanium
CID 172821618
5-phosphonopentylphosphonic acid
CID 2773804
phosphonatomethylphosphonic acid
CID 136758999
tetrasodium;dioxido(oxo)phosphanium;1-phosphonatoethanol
CID 173024812

Frequently Asked Questions

What is the IUPAC name of methane;oxido-oxo-(phosphonomethyl)phosphanium?
The IUPAC name of methane;oxido-oxo-(phosphonomethyl)phosphanium (CID 23371503) is methane;oxido-oxo-(phosphonomethyl)phosphanium.
What is the SMILES notation for methane;oxido-oxo-(phosphonomethyl)phosphanium?
The canonical SMILES for methane;oxido-oxo-(phosphonomethyl)phosphanium is C.O=[P+]([O-])CP(=O)(O)O.
What is the InChIKey of methane;oxido-oxo-(phosphonomethyl)phosphanium?
The InChIKey is PJHJPDPHSBVEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O5P2.CH4/c2-7(3)1-8(4,5)6;/h1H2,(H2,4,5,6);1H4.
What are the key properties of methane;oxido-oxo-(phosphonomethyl)phosphanium?
methane;oxido-oxo-(phosphonomethyl)phosphanium has a molecular weight of 174.03 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;oxido-oxo-(phosphonomethyl)phosphanium is sourced from PubChem (CID 23371503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).