sodium [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinate

C4H9N2NaO6P2 — CID 72579022

IUPACsodium [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinate
SMILESCOP(=O)([O-])C(=[N+]=[N-])P(=O)(OC)OC.[Na+]
InChIInChI=1S/C4H10N2O6P2.Na/c1-10-13(7,8)4(6-5)14(9,11-2)12-3;/h1-3H3,(H,7,8);/q;+1/p-1
InChIKeyFRJYPRPDLTZEIZ-UHFFFAOYSA-M
MW266.06 g/mol
LogP-2.74
Rot. Bonds5

About sodium [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinate

sodium [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinate (PubChem CID 72579022) has the molecular formula C4H9N2NaO6P2 and a molecular weight of 266.06 g/mol. Its IUPAC name is sodium [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinate.

Molecular Properties

Compound Namesodium [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinate
PubChem CID72579022
Molecular FormulaC4H9N2NaO6P2
Molecular Weight266.06 g/mol
Exact Mass265.98
IUPAC Namesodium [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinate
SMILESCOP(=O)([O-])C(=[N+]=[N-])P(=O)(OC)OC.[Na+]
InChIInChI=1S/C4H10N2O6P2.Na/c1-10-13(7,8)4(6-5)14(9,11-2)12-3;/h1-3H3,(H,7,8);/q;+1/p-1
InChIKeyFRJYPRPDLTZEIZ-UHFFFAOYSA-M
XLogP-2.74
TPSA121.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.06
LogP ≤ 5-2.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 sodium [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinate?
The IUPAC name of sodium [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinate (CID 72579022) is sodium [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinate.
What is the SMILES notation for sodium [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinate?
The canonical SMILES for sodium [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinate is COP(=O)([O-])C(=[N+]=[N-])P(=O)(OC)OC.[Na+].
What is the InChIKey of sodium [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinate?
The InChIKey is FRJYPRPDLTZEIZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10N2O6P2.Na/c1-10-13(7,8)4(6-5)14(9,11-2)12-3;/h1-3H3,(H,7,8);/q;+1/p-1.
What are the key properties of sodium [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinate?
sodium [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinate has a molecular weight of 266.06 g/mol, XLogP of -2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [diazo(dimethoxyphosphoryl)methyl]-methoxyphosphinate is sourced from PubChem (CID 72579022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).