azane;methyl phosphono hydrogen phosphate

CH9NO7P2 — CID 175124465

IUPACazane;methyl phosphono hydrogen phosphate
SMILESCOP(=O)(O)OP(=O)(O)O.N
InChIInChI=1S/CH6O7P2.H3N/c1-7-10(5,6)8-9(2,3)4;/h1H3,(H,5,6)(H2,2,3,4);1H3
InChIKeyJYUUDMBGPXKNRU-UHFFFAOYSA-N
MW209.03 g/mol
LogP0.00
Rot. Bonds3

About azane;methyl phosphono hydrogen phosphate

azane;methyl phosphono hydrogen phosphate (PubChem CID 175124465) has the molecular formula CH9NO7P2 and a molecular weight of 209.03 g/mol. Its IUPAC name is azane;methyl phosphono hydrogen phosphate.

Molecular Properties

Compound Nameazane;methyl phosphono hydrogen phosphate
PubChem CID175124465
Molecular FormulaCH9NO7P2
Molecular Weight209.03 g/mol
Exact Mass208.99
IUPAC Nameazane;methyl phosphono hydrogen phosphate
SMILESCOP(=O)(O)OP(=O)(O)O.N
InChIInChI=1S/CH6O7P2.H3N/c1-7-10(5,6)8-9(2,3)4;/h1H3,(H,5,6)(H2,2,3,4);1H3
InChIKeyJYUUDMBGPXKNRU-UHFFFAOYSA-N
XLogP0.00
TPSA148.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.03
LogP ≤ 50.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

azane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate
CID 174777676
azane;dimethyl hydrogen phosphate;ethanol
CID 174156402
sodium;azane;dimethyl hydrogen phosphate;hydride
CID 175474279
tris(dimethyl hydrogen phosphate);titanium
CID 131876605
[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 10212960
dimethyl hydrogen phosphate;methane
CID 88807117
dimethyl hydrogen phosphate;heptahydrate
CID 175149976
CID 170843855
CID 170843855
hexapotassium bis(diphosphono hydrogen phosphate)
CID 170923258
dimethoxyphosphoryl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] methyl phosphate
CID 159233332
dimethoxyphosphoryl [hydroxy(methoxy)phosphoryl] methyl phosphate
CID 155442140
distrontium;diphosphono hydrogen phosphate;hydride
CID 174664429

Frequently Asked Questions

What is the IUPAC name of azane;methyl phosphono hydrogen phosphate?
The IUPAC name of azane;methyl phosphono hydrogen phosphate (CID 175124465) is azane;methyl phosphono hydrogen phosphate.
What is the SMILES notation for azane;methyl phosphono hydrogen phosphate?
The canonical SMILES for azane;methyl phosphono hydrogen phosphate is COP(=O)(O)OP(=O)(O)O.N.
What is the InChIKey of azane;methyl phosphono hydrogen phosphate?
The InChIKey is JYUUDMBGPXKNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6O7P2.H3N/c1-7-10(5,6)8-9(2,3)4;/h1H3,(H,5,6)(H2,2,3,4);1H3.
What are the key properties of azane;methyl phosphono hydrogen phosphate?
azane;methyl phosphono hydrogen phosphate has a molecular weight of 209.03 g/mol, XLogP of 0.00, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methyl phosphono hydrogen phosphate is sourced from PubChem (CID 175124465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).