methylidyneazaniumylmethyl hydrogen phosphate

C2H4NO4P — CID 22094135

IUPACmethylidyneazaniumylmethyl hydrogen phosphate
SMILESC#[N+]COP(=O)([O-])O
InChIInChI=1S/C2H4NO4P/c1-3-2-7-8(4,5)6/h1H,2H2,(H-,4,5,6)
InChIKeyDUZYRMBBBKLSGF-UHFFFAOYSA-N
MW137.03 g/mol
LogP-0.62
Rot. Bonds2

About methylidyneazaniumylmethyl hydrogen phosphate

methylidyneazaniumylmethyl hydrogen phosphate (PubChem CID 22094135) has the molecular formula C2H4NO4P and a molecular weight of 137.03 g/mol. Its IUPAC name is methylidyneazaniumylmethyl hydrogen phosphate.

Molecular Properties

Compound Namemethylidyneazaniumylmethyl hydrogen phosphate
PubChem CID22094135
Molecular FormulaC2H4NO4P
Molecular Weight137.03 g/mol
Exact Mass136.99
IUPAC Namemethylidyneazaniumylmethyl hydrogen phosphate
SMILESC#[N+]COP(=O)([O-])O
InChIInChI=1S/C2H4NO4P/c1-3-2-7-8(4,5)6/h1H,2H2,(H-,4,5,6)
InChIKeyDUZYRMBBBKLSGF-UHFFFAOYSA-N
XLogP-0.62
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.03
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-azaniumylethyl hydrogen phosphate
CID 5232324
hydroxymethyl hydrogen phosphate;methane;propane
CID 159004850
potassium 2,3-dihydroxypropyl hydrogen phosphate
CID 23691990
2-(trimethylazaniumyl)ethyl hydrogen phosphate;hydrate
CID 90410935
octacosyl hydrogen phosphate
CID 20569356
diazanium;oxido hydrogen phosphate
CID 11491954
[dimethyl(3-oxopent-4-enyl)azaniumyl]methyl hydrogen phosphate
CID 172840022
sodium 2,3-dibromopropyl hydrogen phosphate
CID 23705153
magnesium 2,3-dibromopropyl hydrogen phosphate
CID 21124047
[6-[6-[hydroxy(oxido)phosphoryl]oxy-5,5-dimethylhexoxy]-2,2-dimethylhexyl] hydrogen phosphate
CID 59125142
phosphono phosphate
CID 57345951
sodium amino hydrogen phosphate
CID 175411495

Frequently Asked Questions

What is the IUPAC name of methylidyneazaniumylmethyl hydrogen phosphate?
The IUPAC name of methylidyneazaniumylmethyl hydrogen phosphate (CID 22094135) is methylidyneazaniumylmethyl hydrogen phosphate.
What is the SMILES notation for methylidyneazaniumylmethyl hydrogen phosphate?
The canonical SMILES for methylidyneazaniumylmethyl hydrogen phosphate is C#[N+]COP(=O)([O-])O.
What is the InChIKey of methylidyneazaniumylmethyl hydrogen phosphate?
The InChIKey is DUZYRMBBBKLSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4NO4P/c1-3-2-7-8(4,5)6/h1H,2H2,(H-,4,5,6).
What are the key properties of methylidyneazaniumylmethyl hydrogen phosphate?
methylidyneazaniumylmethyl hydrogen phosphate has a molecular weight of 137.03 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylidyneazaniumylmethyl hydrogen phosphate is sourced from PubChem (CID 22094135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).