CID 173209515

C4H6NNa2O6P — CID 173209515

IUPAC—
SMILESO=CN(O)C=CC(=O)P(=O)(O)O.[Na].[Na]
InChIInChI=1S/C4H6NO6P.2Na/c6-3-5(8)2-1-4(7)12(9,10)11;;/h1-3,8H,(H2,9,10,11);;
InChIKeyNPJAHRZQNONCIW-UHFFFAOYSA-N
MW241.05 g/mol
LogP-1.71
Rot. Bonds4

About CID 173209515

CID 173209515 (PubChem CID 173209515) has the molecular formula C4H6NNa2O6P and a molecular weight of 241.05 g/mol.

Molecular Properties

Compound NameCID 173209515
PubChem CID173209515
Molecular FormulaC4H6NNa2O6P
Molecular Weight241.05 g/mol
Exact Mass240.97
IUPAC Name—
SMILESO=CN(O)C=CC(=O)P(=O)(O)O.[Na].[Na]
InChIInChI=1S/C4H6NO6P.2Na/c6-3-5(8)2-1-4(7)12(9,10)11;;/h1-3,8H,(H2,9,10,11);;
InChIKeyNPJAHRZQNONCIW-UHFFFAOYSA-N
XLogP-1.71
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.05
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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phosphonooxidanium
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N-(dimethoxyphosphorylmethyliminomethyl)-N-hydroxyformamide
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Frequently Asked Questions

What is the IUPAC name of CID 173209515?
The IUPAC name of CID 173209515 (CID 173209515) is not available.
What is the SMILES notation for CID 173209515?
The canonical SMILES for CID 173209515 is O=CN(O)C=CC(=O)P(=O)(O)O.[Na].[Na].
What is the InChIKey of CID 173209515?
The InChIKey is NPJAHRZQNONCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6NO6P.2Na/c6-3-5(8)2-1-4(7)12(9,10)11;;/h1-3,8H,(H2,9,10,11);;.
What are the key properties of CID 173209515?
CID 173209515 has a molecular weight of 241.05 g/mol, XLogP of -1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173209515 is sourced from PubChem (CID 173209515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).