sodium [(E)-[formyl(hydroxy)amino]methylideneamino]methyl-hydroxyphosphinate

C3H6N2NaO5P — CID 23689653

IUPACsodium [(E)-[formyl(hydroxy)amino]methylideneamino]methyl-hydroxyphosphinate
SMILESO=CN(O)/C=N/CP(=O)([O-])O.[Na+]
InChIInChI=1S/C3H7N2O5P.Na/c6-3-5(7)1-4-2-11(8,9)10;/h1,3,7H,2H2,(H2,8,9,10);/q;+1/p-1/b4-1+;
InChIKeyKTEAZIYJTSHYSH-DYVSEJHDSA-M
MW204.05 g/mol
LogP-4.63
Rot. Bonds4

About sodium [(E)-[formyl(hydroxy)amino]methylideneamino]methyl-hydroxyphosphinate

sodium [(E)-[formyl(hydroxy)amino]methylideneamino]methyl-hydroxyphosphinate (PubChem CID 23689653) has the molecular formula C3H6N2NaO5P and a molecular weight of 204.05 g/mol. Its IUPAC name is sodium [(E)-[formyl(hydroxy)amino]methylideneamino]methyl-hydroxyphosphinate.

Molecular Properties

Compound Namesodium [(E)-[formyl(hydroxy)amino]methylideneamino]methyl-hydroxyphosphinate
PubChem CID23689653
Molecular FormulaC3H6N2NaO5P
Molecular Weight204.05 g/mol
Exact Mass203.99
IUPAC Namesodium [(E)-[formyl(hydroxy)amino]methylideneamino]methyl-hydroxyphosphinate
SMILESO=CN(O)/C=N/CP(=O)([O-])O.[Na+]
InChIInChI=1S/C3H7N2O5P.Na/c6-3-5(7)1-4-2-11(8,9)10;/h1,3,7H,2H2,(H2,8,9,10);/q;+1/p-1/b4-1+;
InChIKeyKTEAZIYJTSHYSH-DYVSEJHDSA-M
XLogP-4.63
TPSA113.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.05
LogP ≤ 5-4.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium [(E)-[formyl(hydroxy)amino]methylideneamino]methyl-hydroxyphosphinate?
The IUPAC name of sodium [(E)-[formyl(hydroxy)amino]methylideneamino]methyl-hydroxyphosphinate (CID 23689653) is sodium [(E)-[formyl(hydroxy)amino]methylideneamino]methyl-hydroxyphosphinate.
What is the SMILES notation for sodium [(E)-[formyl(hydroxy)amino]methylideneamino]methyl-hydroxyphosphinate?
The canonical SMILES for sodium [(E)-[formyl(hydroxy)amino]methylideneamino]methyl-hydroxyphosphinate is O=CN(O)/C=N/CP(=O)([O-])O.[Na+].
What is the InChIKey of sodium [(E)-[formyl(hydroxy)amino]methylideneamino]methyl-hydroxyphosphinate?
The InChIKey is KTEAZIYJTSHYSH-DYVSEJHDSA-M. The full InChI is InChI=1S/C3H7N2O5P.Na/c6-3-5(7)1-4-2-11(8,9)10;/h1,3,7H,2H2,(H2,8,9,10);/q;+1/p-1/b4-1+;.
What are the key properties of sodium [(E)-[formyl(hydroxy)amino]methylideneamino]methyl-hydroxyphosphinate?
sodium [(E)-[formyl(hydroxy)amino]methylideneamino]methyl-hydroxyphosphinate has a molecular weight of 204.05 g/mol, XLogP of -4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [(E)-[formyl(hydroxy)amino]methylideneamino]methyl-hydroxyphosphinate is sourced from PubChem (CID 23689653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).