[aminooxy(methyl)phosphoryl] dihydrogen phosphate

CH7NO6P2 — CID 118566511

IUPAC[aminooxy(methyl)phosphoryl] dihydrogen phosphate
SMILESCP(=O)(ON)OP(=O)(O)O
InChIInChI=1S/CH7NO6P2/c1-9(3,7-2)8-10(4,5)6/h2H2,1H3,(H2,4,5,6)
InChIKeyALZGTFFWTKPYKJ-UHFFFAOYSA-N
MW191.02 g/mol
LogP-0.19
Rot. Bonds3

About [aminooxy(methyl)phosphoryl] dihydrogen phosphate

[aminooxy(methyl)phosphoryl] dihydrogen phosphate (PubChem CID 118566511) has the molecular formula CH7NO6P2 and a molecular weight of 191.02 g/mol. Its IUPAC name is [aminooxy(methyl)phosphoryl] dihydrogen phosphate.

Molecular Properties

Compound Name[aminooxy(methyl)phosphoryl] dihydrogen phosphate
PubChem CID118566511
Molecular FormulaCH7NO6P2
Molecular Weight191.02 g/mol
Exact Mass190.97
IUPAC Name[aminooxy(methyl)phosphoryl] dihydrogen phosphate
SMILESCP(=O)(ON)OP(=O)(O)O
InChIInChI=1S/CH7NO6P2/c1-9(3,7-2)8-10(4,5)6/h2H2,1H3,(H2,4,5,6)
InChIKeyALZGTFFWTKPYKJ-UHFFFAOYSA-N
XLogP-0.19
TPSA119.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.02
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [aminooxy(methyl)phosphoryl] dihydrogen phosphate?
The IUPAC name of [aminooxy(methyl)phosphoryl] dihydrogen phosphate (CID 118566511) is [aminooxy(methyl)phosphoryl] dihydrogen phosphate.
What is the SMILES notation for [aminooxy(methyl)phosphoryl] dihydrogen phosphate?
The canonical SMILES for [aminooxy(methyl)phosphoryl] dihydrogen phosphate is CP(=O)(ON)OP(=O)(O)O.
What is the InChIKey of [aminooxy(methyl)phosphoryl] dihydrogen phosphate?
The InChIKey is ALZGTFFWTKPYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH7NO6P2/c1-9(3,7-2)8-10(4,5)6/h2H2,1H3,(H2,4,5,6).
What are the key properties of [aminooxy(methyl)phosphoryl] dihydrogen phosphate?
[aminooxy(methyl)phosphoryl] dihydrogen phosphate has a molecular weight of 191.02 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [aminooxy(methyl)phosphoryl] dihydrogen phosphate is sourced from PubChem (CID 118566511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).