nitric acid;2-phosphonooxyacetic acid

C2H6NO9P — CID 141120748

IUPACnitric acid;2-phosphonooxyacetic acid
SMILESO=C(O)COP(=O)(O)O.O=[N+]([O-])O
InChIInChI=1S/C2H5O6P.HNO3/c3-2(4)1-8-9(5,6)7;2-1(3)4/h1H2,(H,3,4)(H2,5,6,7);(H,2,3,4)
InChIKeyZOYXOKOVQKELLW-UHFFFAOYSA-N
MW219.04 g/mol
LogP-1.17
Rot. Bonds3

About nitric acid;2-phosphonooxyacetic acid

nitric acid;2-phosphonooxyacetic acid (PubChem CID 141120748) has the molecular formula C2H6NO9P and a molecular weight of 219.04 g/mol. Its IUPAC name is nitric acid;2-phosphonooxyacetic acid.

Molecular Properties

Compound Namenitric acid;2-phosphonooxyacetic acid
PubChem CID141120748
Molecular FormulaC2H6NO9P
Molecular Weight219.04 g/mol
Exact Mass218.98
IUPAC Namenitric acid;2-phosphonooxyacetic acid
SMILESO=C(O)COP(=O)(O)O.O=[N+]([O-])O
InChIInChI=1S/C2H5O6P.HNO3/c3-2(4)1-8-9(5,6)7;2-1(3)4/h1H2,(H,3,4)(H2,5,6,7);(H,2,3,4)
InChIKeyZOYXOKOVQKELLW-UHFFFAOYSA-N
XLogP-1.17
TPSA167.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'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 nitric acid;2-phosphonooxyacetic acid?
The IUPAC name of nitric acid;2-phosphonooxyacetic acid (CID 141120748) is nitric acid;2-phosphonooxyacetic acid.
What is the SMILES notation for nitric acid;2-phosphonooxyacetic acid?
The canonical SMILES for nitric acid;2-phosphonooxyacetic acid is O=C(O)COP(=O)(O)O.O=[N+]([O-])O.
What is the InChIKey of nitric acid;2-phosphonooxyacetic acid?
The InChIKey is ZOYXOKOVQKELLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O6P.HNO3/c3-2(4)1-8-9(5,6)7;2-1(3)4/h1H2,(H,3,4)(H2,5,6,7);(H,2,3,4).
What are the key properties of nitric acid;2-phosphonooxyacetic acid?
nitric acid;2-phosphonooxyacetic acid has a molecular weight of 219.04 g/mol, XLogP of -1.17, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;2-phosphonooxyacetic acid is sourced from PubChem (CID 141120748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).