diethoxyphosphorylmethylazanium;2-hydroxy-2-oxoacetate

C7H16NO7P — CID 66557810

IUPACdiethoxyphosphorylmethylazanium;2-hydroxy-2-oxoacetate
SMILESCCOP(=O)(C[NH3+])OCC.O=C([O-])C(=O)O
InChIInChI=1S/C5H14NO3P.C2H2O4/c1-3-8-10(7,5-6)9-4-2;3-1(4)2(5)6/h3-6H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyOVHZWLGNOJBTDI-UHFFFAOYSA-N
MW257.18 g/mol
LogP-1.73
Rot. Bonds5

About diethoxyphosphorylmethylazanium;2-hydroxy-2-oxoacetate

diethoxyphosphorylmethylazanium;2-hydroxy-2-oxoacetate (PubChem CID 66557810) has the molecular formula C7H16NO7P and a molecular weight of 257.18 g/mol. Its IUPAC name is diethoxyphosphorylmethylazanium;2-hydroxy-2-oxoacetate.

Molecular Properties

Compound Namediethoxyphosphorylmethylazanium;2-hydroxy-2-oxoacetate
PubChem CID66557810
Molecular FormulaC7H16NO7P
Molecular Weight257.18 g/mol
Exact Mass257.07
IUPAC Namediethoxyphosphorylmethylazanium;2-hydroxy-2-oxoacetate
SMILESCCOP(=O)(C[NH3+])OCC.O=C([O-])C(=O)O
InChIInChI=1S/C5H14NO3P.C2H2O4/c1-3-8-10(7,5-6)9-4-2;3-1(4)2(5)6/h3-6H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyOVHZWLGNOJBTDI-UHFFFAOYSA-N
XLogP-1.73
TPSA140.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 5-1.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxyphosphorylmethylazanium;2-hydroxy-2-oxoacetate?
The IUPAC name of diethoxyphosphorylmethylazanium;2-hydroxy-2-oxoacetate (CID 66557810) is diethoxyphosphorylmethylazanium;2-hydroxy-2-oxoacetate.
What is the SMILES notation for diethoxyphosphorylmethylazanium;2-hydroxy-2-oxoacetate?
The canonical SMILES for diethoxyphosphorylmethylazanium;2-hydroxy-2-oxoacetate is CCOP(=O)(C[NH3+])OCC.O=C([O-])C(=O)O.
What is the InChIKey of diethoxyphosphorylmethylazanium;2-hydroxy-2-oxoacetate?
The InChIKey is OVHZWLGNOJBTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO3P.C2H2O4/c1-3-8-10(7,5-6)9-4-2;3-1(4)2(5)6/h3-6H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of diethoxyphosphorylmethylazanium;2-hydroxy-2-oxoacetate?
diethoxyphosphorylmethylazanium;2-hydroxy-2-oxoacetate has a molecular weight of 257.18 g/mol, XLogP of -1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphorylmethylazanium;2-hydroxy-2-oxoacetate is sourced from PubChem (CID 66557810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).