hydroxy-oxo-(phosphonomethyl)phosphanium;methane

C2H9O5P2+ — CID 88633037

IUPAChydroxy-oxo-(phosphonomethyl)phosphanium;methane
SMILESC.O=[P+](O)CP(=O)(O)O
InChIInChI=1S/CH4O5P2.CH4/c2-7(3)1-8(4,5)6;/h1H2,(H2-,2,3,4,5,6);1H4/p+1
InChIKeyVEERHUQGTKESSC-UHFFFAOYSA-O
MW175.04 g/mol
LogP0.49
Rot. Bonds2

About hydroxy-oxo-(phosphonomethyl)phosphanium;methane

hydroxy-oxo-(phosphonomethyl)phosphanium;methane (PubChem CID 88633037) has the molecular formula C2H9O5P2+ and a molecular weight of 175.04 g/mol. Its IUPAC name is hydroxy-oxo-(phosphonomethyl)phosphanium;methane.

Molecular Properties

Compound Namehydroxy-oxo-(phosphonomethyl)phosphanium;methane
PubChem CID88633037
Molecular FormulaC2H9O5P2+
Molecular Weight175.04 g/mol
Exact Mass174.99
IUPAC Namehydroxy-oxo-(phosphonomethyl)phosphanium;methane
SMILESC.O=[P+](O)CP(=O)(O)O
InChIInChI=1S/CH4O5P2.CH4/c2-7(3)1-8(4,5)6;/h1H2,(H2-,2,3,4,5,6);1H4/p+1
InChIKeyVEERHUQGTKESSC-UHFFFAOYSA-O
XLogP0.49
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.04
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;oxido-oxo-(phosphonomethyl)phosphanium
CID 23371503
dimethylphosphorylmethyl-hydroxy-oxophosphanium
CID 21393262
3-aminopropylphosphonic acid;dihydroxy(oxo)phosphanium
CID 88769819
dihydroxy(oxo)phosphanium;phosphoric acid;zirconium
CID 173299921
dihydroxy(oxo)phosphanium;oxophosphanium;phosphoric acid
CID 162249587
1,2-dihydroxyethylphosphonic acid;dihydroxy(oxo)phosphanium
CID 87424977
methane;phosphoric acid
CID 173400304
methane;phosphoric acid
CID 18515646
5-phosphonopentylphosphonic acid
CID 2773804
disodium;bis(dihydrogen phosphate);dihydroxy(oxo)phosphanium
CID 172821618
amino-hydroxy-oxophosphanium;aminophosphonic acid
CID 161400916
dihydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid
CID 88726549

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(phosphonomethyl)phosphanium;methane?
The IUPAC name of hydroxy-oxo-(phosphonomethyl)phosphanium;methane (CID 88633037) is hydroxy-oxo-(phosphonomethyl)phosphanium;methane.
What is the SMILES notation for hydroxy-oxo-(phosphonomethyl)phosphanium;methane?
The canonical SMILES for hydroxy-oxo-(phosphonomethyl)phosphanium;methane is C.O=[P+](O)CP(=O)(O)O.
What is the InChIKey of hydroxy-oxo-(phosphonomethyl)phosphanium;methane?
The InChIKey is VEERHUQGTKESSC-UHFFFAOYSA-O. The full InChI is InChI=1S/CH4O5P2.CH4/c2-7(3)1-8(4,5)6;/h1H2,(H2-,2,3,4,5,6);1H4/p+1.
What are the key properties of hydroxy-oxo-(phosphonomethyl)phosphanium;methane?
hydroxy-oxo-(phosphonomethyl)phosphanium;methane has a molecular weight of 175.04 g/mol, XLogP of 0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(phosphonomethyl)phosphanium;methane is sourced from PubChem (CID 88633037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).