[aminooxy(methyl)phosphoryl] hydrogen phosphate;O-[hydroperoxy(methyl)phosphoryl]hydroxylamine;O-[methoxy(methyl)phosphoryl]hydroxylamine

C4H20N3O13P4- — CID 159826830

IUPAC[aminooxy(methyl)phosphoryl] hydrogen phosphate;O-[hydroperoxy(methyl)phosphoryl]hydroxylamine;O-[methoxy(methyl)phosphoryl]hydroxylamine
SMILESCOP(C)(=O)ON.CP(=O)(ON)OO.CP(=O)(ON)OP(=O)([O-])O
InChIInChI=1S/C2H8NO3P.CH7NO6P2.CH6NO4P/c1-5-7(2,4)6-3;1-9(3,7-2)8-10(4,5)6;1-7(4,5-2)6-3/h3H2,1-2H3;2H2,1H3,(H2,4,5,6);3H,2H2,1H3/p-1
InChIKeyNMYDTJBQPHVIPS-UHFFFAOYSA-M
MW442.11 g/mol
LogP-0.29
Rot. Bonds7

About [aminooxy(methyl)phosphoryl] hydrogen phosphate;O-[hydroperoxy(methyl)phosphoryl]hydroxylamine;O-[methoxy(methyl)phosphoryl]hydroxylamine

[aminooxy(methyl)phosphoryl] hydrogen phosphate;O-[hydroperoxy(methyl)phosphoryl]hydroxylamine;O-[methoxy(methyl)phosphoryl]hydroxylamine (PubChem CID 159826830) has the molecular formula C4H20N3O13P4- and a molecular weight of 442.11 g/mol. Its IUPAC name is [aminooxy(methyl)phosphoryl] hydrogen phosphate;O-[hydroperoxy(methyl)phosphoryl]hydroxylamine;O-[methoxy(methyl)phosphoryl]hydroxylamine.

Molecular Properties

Compound Name[aminooxy(methyl)phosphoryl] hydrogen phosphate;O-[hydroperoxy(methyl)phosphoryl]hydroxylamine;O-[methoxy(methyl)phosphoryl]hydroxylamine
PubChem CID159826830
Molecular FormulaC4H20N3O13P4-
Molecular Weight442.11 g/mol
Exact Mass442.00
IUPAC Name[aminooxy(methyl)phosphoryl] hydrogen phosphate;O-[hydroperoxy(methyl)phosphoryl]hydroxylamine;O-[methoxy(methyl)phosphoryl]hydroxylamine
SMILESCOP(C)(=O)ON.CP(=O)(ON)OO.CP(=O)(ON)OP(=O)([O-])O
InChIInChI=1S/C2H8NO3P.CH7NO6P2.CH6NO4P/c1-5-7(2,4)6-3;1-9(3,7-2)8-10(4,5)6;1-7(4,5-2)6-3/h3H2,1-2H3;2H2,1H3,(H2,4,5,6);3H,2H2,1H3/p-1
InChIKeyNMYDTJBQPHVIPS-UHFFFAOYSA-M
XLogP-0.29
TPSA265.24 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.11
LogP ≤ 5-0.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[aminooxy(methyl)phosphoryl] dihydrogen phosphate
CID 118566511
[hydroxy(oxido)phosphoryl]oxy-methylphosphinate
CID 20587792
sodium amino hydrogen phosphate
CID 175411495
methane;[methoxy(methyl)phosphoryl]oxymethane
CID 161343110
diamino phosphate
CID 23499702
CID 57459832
CID 57459832
cesium phosphono hydrogen phosphate
CID 160778064
trisodium;[hydroxy(oxido)phosphoryl] phosphate;dodecahydrate
CID 158298234
disodium;hydron;[hydroxy(oxido)phosphoryl] phosphate
CID 173017843
formaldehyde;bis(methyl dihydrogen phosphate)
CID 174780160
dimethylphosphinate;methoxy(methyl)phosphinate
CID 161267325
[aminooxy(methyl)phosphoryl] acetate
CID 141024548

Frequently Asked Questions

What is the IUPAC name of [aminooxy(methyl)phosphoryl] hydrogen phosphate;O-[hydroperoxy(methyl)phosphoryl]hydroxylamine;O-[methoxy(methyl)phosphoryl]hydroxylamine?
The IUPAC name of [aminooxy(methyl)phosphoryl] hydrogen phosphate;O-[hydroperoxy(methyl)phosphoryl]hydroxylamine;O-[methoxy(methyl)phosphoryl]hydroxylamine (CID 159826830) is [aminooxy(methyl)phosphoryl] hydrogen phosphate;O-[hydroperoxy(methyl)phosphoryl]hydroxylamine;O-[methoxy(methyl)phosphoryl]hydroxylamine.
What is the SMILES notation for [aminooxy(methyl)phosphoryl] hydrogen phosphate;O-[hydroperoxy(methyl)phosphoryl]hydroxylamine;O-[methoxy(methyl)phosphoryl]hydroxylamine?
The canonical SMILES for [aminooxy(methyl)phosphoryl] hydrogen phosphate;O-[hydroperoxy(methyl)phosphoryl]hydroxylamine;O-[methoxy(methyl)phosphoryl]hydroxylamine is COP(C)(=O)ON.CP(=O)(ON)OO.CP(=O)(ON)OP(=O)([O-])O.
What is the InChIKey of [aminooxy(methyl)phosphoryl] hydrogen phosphate;O-[hydroperoxy(methyl)phosphoryl]hydroxylamine;O-[methoxy(methyl)phosphoryl]hydroxylamine?
The InChIKey is NMYDTJBQPHVIPS-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H8NO3P.CH7NO6P2.CH6NO4P/c1-5-7(2,4)6-3;1-9(3,7-2)8-10(4,5)6;1-7(4,5-2)6-3/h3H2,1-2H3;2H2,1H3,(H2,4,5,6);3H,2H2,1H3/p-1.
What are the key properties of [aminooxy(methyl)phosphoryl] hydrogen phosphate;O-[hydroperoxy(methyl)phosphoryl]hydroxylamine;O-[methoxy(methyl)phosphoryl]hydroxylamine?
[aminooxy(methyl)phosphoryl] hydrogen phosphate;O-[hydroperoxy(methyl)phosphoryl]hydroxylamine;O-[methoxy(methyl)phosphoryl]hydroxylamine has a molecular weight of 442.11 g/mol, XLogP of -0.29, 7 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [aminooxy(methyl)phosphoryl] hydrogen phosphate;O-[hydroperoxy(methyl)phosphoryl]hydroxylamine;O-[methoxy(methyl)phosphoryl]hydroxylamine is sourced from PubChem (CID 159826830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).