carbanylium;methyl dihydrogen phosphate

C3H11O4P+2 — CID 165007935

IUPACcarbanylium;methyl dihydrogen phosphate
SMILESCOP(=O)(O)O.[CH3+].[CH3+]
InChIInChI=1S/CH5O4P.2CH3/c1-5-6(2,3)4;;/h1H3,(H2,2,3,4);2*1H3/q;2*+1
InChIKeyJGFAMDCUVGOHFC-UHFFFAOYSA-N
MW142.09 g/mol
LogP0.63
Rot. Bonds1

About carbanylium;methyl dihydrogen phosphate

carbanylium;methyl dihydrogen phosphate (PubChem CID 165007935) has the molecular formula C3H11O4P+2 and a molecular weight of 142.09 g/mol. Its IUPAC name is carbanylium;methyl dihydrogen phosphate.

Molecular Properties

Compound Namecarbanylium;methyl dihydrogen phosphate
PubChem CID165007935
Molecular FormulaC3H11O4P+2
Molecular Weight142.09 g/mol
Exact Mass142.04
IUPAC Namecarbanylium;methyl dihydrogen phosphate
SMILESCOP(=O)(O)O.[CH3+].[CH3+]
InChIInChI=1S/CH5O4P.2CH3/c1-5-6(2,3)4;;/h1H3,(H2,2,3,4);2*1H3/q;2*+1
InChIKeyJGFAMDCUVGOHFC-UHFFFAOYSA-N
XLogP0.63
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.09
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 23235630
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CID 138472642

Frequently Asked Questions

What is the IUPAC name of carbanylium;methyl dihydrogen phosphate?
The IUPAC name of carbanylium;methyl dihydrogen phosphate (CID 165007935) is carbanylium;methyl dihydrogen phosphate.
What is the SMILES notation for carbanylium;methyl dihydrogen phosphate?
The canonical SMILES for carbanylium;methyl dihydrogen phosphate is COP(=O)(O)O.[CH3+].[CH3+].
What is the InChIKey of carbanylium;methyl dihydrogen phosphate?
The InChIKey is JGFAMDCUVGOHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5O4P.2CH3/c1-5-6(2,3)4;;/h1H3,(H2,2,3,4);2*1H3/q;2*+1.
What are the key properties of carbanylium;methyl dihydrogen phosphate?
carbanylium;methyl dihydrogen phosphate has a molecular weight of 142.09 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanylium;methyl dihydrogen phosphate is sourced from PubChem (CID 165007935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).