[methyl(oxo)phosphaniumyl] phosphate

CH3O5P2- — CID 23405619

IUPAC[methyl(oxo)phosphaniumyl] phosphate
SMILESC[P+](=O)OP(=O)([O-])[O-]
InChIInChI=1S/CH4O5P2/c1-7(2)6-8(3,4)5/h1H3,(H-,3,4,5)/p-1
InChIKeyRHXHNGQRMYPRHG-UHFFFAOYSA-M
MW156.98 g/mol
LogP-0.80
Rot. Bonds2

About [methyl(oxo)phosphaniumyl] phosphate

[methyl(oxo)phosphaniumyl] phosphate (PubChem CID 23405619) has the molecular formula CH3O5P2- and a molecular weight of 156.98 g/mol. Its IUPAC name is [methyl(oxo)phosphaniumyl] phosphate.

Molecular Properties

Compound Name[methyl(oxo)phosphaniumyl] phosphate
PubChem CID23405619
Molecular FormulaCH3O5P2-
Molecular Weight156.98 g/mol
Exact Mass156.95
IUPAC Name[methyl(oxo)phosphaniumyl] phosphate
SMILESC[P+](=O)OP(=O)([O-])[O-]
InChIInChI=1S/CH4O5P2/c1-7(2)6-8(3,4)5/h1H3,(H-,3,4,5)/p-1
InChIKeyRHXHNGQRMYPRHG-UHFFFAOYSA-M
XLogP-0.80
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.98
LogP ≤ 5-0.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

disodium;bis(dihydrogen phosphate);dihydroxy(oxo)phosphanium
CID 172821618
sodium hydroxy phosphate
CID 23085561
trisodium;hydrogen phosphate;methanolate
CID 174908769
tetrasodium;dioxido(oxo)phosphanium;1-phosphonatoethanol
CID 173024812
trisodium;hydrogen peroxide;phosphate
CID 161125728
sodium dihydroxy(32P)phosphinate
CID 23694678
pentacalcium;hydroxy phosphate
CID 23186977
sodium methoxy-oxido-oxophosphanium
CID 23678289
bis(chromium(3+));hydroxy phosphate
CID 175358449
sodium phosphate
CID 21225609
heptasodium;phosphate
CID 159686031
disodium;ethane;phosphono phosphate
CID 19985246

Frequently Asked Questions

What is the IUPAC name of [methyl(oxo)phosphaniumyl] phosphate?
The IUPAC name of [methyl(oxo)phosphaniumyl] phosphate (CID 23405619) is [methyl(oxo)phosphaniumyl] phosphate.
What is the SMILES notation for [methyl(oxo)phosphaniumyl] phosphate?
The canonical SMILES for [methyl(oxo)phosphaniumyl] phosphate is C[P+](=O)OP(=O)([O-])[O-].
What is the InChIKey of [methyl(oxo)phosphaniumyl] phosphate?
The InChIKey is RHXHNGQRMYPRHG-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4O5P2/c1-7(2)6-8(3,4)5/h1H3,(H-,3,4,5)/p-1.
What are the key properties of [methyl(oxo)phosphaniumyl] phosphate?
[methyl(oxo)phosphaniumyl] phosphate has a molecular weight of 156.98 g/mol, XLogP of -0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(oxo)phosphaniumyl] phosphate is sourced from PubChem (CID 23405619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).