sodium hydroxy-(1-hydroxy-1-phosphono-2-pyridin-4-ylethyl)phosphinate

C7H10NNaO7P2 — CID 73357608

IUPACsodium hydroxy-(1-hydroxy-1-phosphono-2-pyridin-4-ylethyl)phosphinate
SMILESO=P([O-])(O)C(O)(Cc1ccncc1)P(=O)(O)O.[Na+]
InChIInChI=1S/C7H11NO7P2.Na/c9-7(16(10,11)12,17(13,14)15)5-6-1-3-8-4-2-6;/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15);/q;+1/p-1
InChIKeyNXKQAQUWJYBQLP-UHFFFAOYSA-M
MW305.09 g/mol
LogP-4.00
Rot. Bonds4

About sodium hydroxy-(1-hydroxy-1-phosphono-2-pyridin-4-ylethyl)phosphinate

sodium hydroxy-(1-hydroxy-1-phosphono-2-pyridin-4-ylethyl)phosphinate (PubChem CID 73357608) has the molecular formula C7H10NNaO7P2 and a molecular weight of 305.09 g/mol. Its IUPAC name is sodium hydroxy-(1-hydroxy-1-phosphono-2-pyridin-4-ylethyl)phosphinate.

Molecular Properties

Compound Namesodium hydroxy-(1-hydroxy-1-phosphono-2-pyridin-4-ylethyl)phosphinate
PubChem CID73357608
Molecular FormulaC7H10NNaO7P2
Molecular Weight305.09 g/mol
Exact Mass304.98
IUPAC Namesodium hydroxy-(1-hydroxy-1-phosphono-2-pyridin-4-ylethyl)phosphinate
SMILESO=P([O-])(O)C(O)(Cc1ccncc1)P(=O)(O)O.[Na+]
InChIInChI=1S/C7H11NO7P2.Na/c9-7(16(10,11)12,17(13,14)15)5-6-1-3-8-4-2-6;/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15);/q;+1/p-1
InChIKeyNXKQAQUWJYBQLP-UHFFFAOYSA-M
XLogP-4.00
TPSA151.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.09
LogP ≤ 5-4.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium hydroxy-(1-hydroxy-1-phosphono-2-pyridin-4-ylethyl)phosphinate?
The IUPAC name of sodium hydroxy-(1-hydroxy-1-phosphono-2-pyridin-4-ylethyl)phosphinate (CID 73357608) is sodium hydroxy-(1-hydroxy-1-phosphono-2-pyridin-4-ylethyl)phosphinate.
What is the SMILES notation for sodium hydroxy-(1-hydroxy-1-phosphono-2-pyridin-4-ylethyl)phosphinate?
The canonical SMILES for sodium hydroxy-(1-hydroxy-1-phosphono-2-pyridin-4-ylethyl)phosphinate is O=P([O-])(O)C(O)(Cc1ccncc1)P(=O)(O)O.[Na+].
What is the InChIKey of sodium hydroxy-(1-hydroxy-1-phosphono-2-pyridin-4-ylethyl)phosphinate?
The InChIKey is NXKQAQUWJYBQLP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11NO7P2.Na/c9-7(16(10,11)12,17(13,14)15)5-6-1-3-8-4-2-6;/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15);/q;+1/p-1.
What are the key properties of sodium hydroxy-(1-hydroxy-1-phosphono-2-pyridin-4-ylethyl)phosphinate?
sodium hydroxy-(1-hydroxy-1-phosphono-2-pyridin-4-ylethyl)phosphinate has a molecular weight of 305.09 g/mol, XLogP of -4.00, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hydroxy-(1-hydroxy-1-phosphono-2-pyridin-4-ylethyl)phosphinate is sourced from PubChem (CID 73357608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).