[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxy-N-methylphosphonamidic acid

C2H10NO9P3 — CID 129308435

IUPAC[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxy-N-methylphosphonamidic acid
SMILESCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC
InChIInChI=1S/C2H10NO9P3/c1-3-13(4,5)11-15(8,9)12-14(6,7)10-2/h1-2H3,(H,6,7)(H,8,9)(H2,3,4,5)
InChIKeyVKOUFAFJZOWUAC-UHFFFAOYSA-N
MW285.02 g/mol
LogP0.19
Rot. Bonds6

About [hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxy-N-methylphosphonamidic acid

[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxy-N-methylphosphonamidic acid (PubChem CID 129308435) has the molecular formula C2H10NO9P3 and a molecular weight of 285.02 g/mol. Its IUPAC name is [hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxy-N-methylphosphonamidic acid.

Molecular Properties

Compound Name[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxy-N-methylphosphonamidic acid
PubChem CID129308435
Molecular FormulaC2H10NO9P3
Molecular Weight285.02 g/mol
Exact Mass284.96
IUPAC Name[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxy-N-methylphosphonamidic acid
SMILESCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC
InChIInChI=1S/C2H10NO9P3/c1-3-13(4,5)11-15(8,9)12-14(6,7)10-2/h1-2H3,(H,6,7)(H,8,9)(H2,3,4,5)
InChIKeyVKOUFAFJZOWUAC-UHFFFAOYSA-N
XLogP0.19
TPSA151.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.02
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

azane;methyl phosphono hydrogen phosphate
CID 175124465
azane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate
CID 174777676
tris(dimethyl hydrogen phosphate);titanium
CID 131876605
dimethyl hydrogen phosphate;heptahydrate
CID 175149976
dimethyl hydrogen phosphate;methane
CID 88807117
dimethoxyphosphoryl [hydroxy(methoxy)phosphoryl] methyl phosphate
CID 155442140
sodium;azane;dimethyl hydrogen phosphate;hydride
CID 175474279
fluoro(methoxy)phosphinic acid
CID 23235630
CID 170843855
CID 170843855
[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 10212960
dimethoxyphosphoryl [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] methyl phosphate
CID 159233332
ethoxy-N-methylphosphonamidic acid
CID 20842965

Frequently Asked Questions

What is the IUPAC name of [hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxy-N-methylphosphonamidic acid?
The IUPAC name of [hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxy-N-methylphosphonamidic acid (CID 129308435) is [hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxy-N-methylphosphonamidic acid.
What is the SMILES notation for [hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxy-N-methylphosphonamidic acid?
The canonical SMILES for [hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxy-N-methylphosphonamidic acid is CNP(=O)(O)OP(=O)(O)OP(=O)(O)OC.
What is the InChIKey of [hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxy-N-methylphosphonamidic acid?
The InChIKey is VKOUFAFJZOWUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H10NO9P3/c1-3-13(4,5)11-15(8,9)12-14(6,7)10-2/h1-2H3,(H,6,7)(H,8,9)(H2,3,4,5).
What are the key properties of [hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxy-N-methylphosphonamidic acid?
[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxy-N-methylphosphonamidic acid has a molecular weight of 285.02 g/mol, XLogP of 0.19, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxy-N-methylphosphonamidic acid is sourced from PubChem (CID 129308435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).