[diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid

C4H10N2O6P2 — CID 59854296

IUPAC[diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid
SMILESCOP(=O)(O)C(=[N+]=[N-])P(=O)(OC)OC
InChIInChI=1S/C4H10N2O6P2/c1-10-13(7,8)4(6-5)14(9,11-2)12-3/h1-3H3,(H,7,8)
InChIKeyWMSCVCGBRPMGHW-UHFFFAOYSA-N
MW244.08 g/mol
LogP0.89
Rot. Bonds5

About [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid

[diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid (PubChem CID 59854296) has the molecular formula C4H10N2O6P2 and a molecular weight of 244.08 g/mol. Its IUPAC name is [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid.

Molecular Properties

Compound Name[diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid
PubChem CID59854296
Molecular FormulaC4H10N2O6P2
Molecular Weight244.08 g/mol
Exact Mass244.00
IUPAC Name[diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid
SMILESCOP(=O)(O)C(=[N+]=[N-])P(=O)(OC)OC
InChIInChI=1S/C4H10N2O6P2/c1-10-13(7,8)4(6-5)14(9,11-2)12-3/h1-3H3,(H,7,8)
InChIKeyWMSCVCGBRPMGHW-UHFFFAOYSA-N
XLogP0.89
TPSA118.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid?
The IUPAC name of [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid (CID 59854296) is [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid.
What is the SMILES notation for [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid?
The canonical SMILES for [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid is COP(=O)(O)C(=[N+]=[N-])P(=O)(OC)OC.
What is the InChIKey of [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid?
The InChIKey is WMSCVCGBRPMGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O6P2/c1-10-13(7,8)4(6-5)14(9,11-2)12-3/h1-3H3,(H,7,8).
What are the key properties of [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid?
[diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid has a molecular weight of 244.08 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid is sourced from PubChem (CID 59854296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).