trisodium;hydroxy(phosphonatomethyl)phosphinate

CH3Na3O6P2 — CID 6100359

IUPACtrisodium;hydroxy(phosphonatomethyl)phosphinate
SMILESO=P([O-])([O-])CP(=O)([O-])O.[Na+].[Na+].[Na+]
InChIInChI=1S/CH6O6P2.3Na/c2-8(3,4)1-9(5,6)7;;;/h1H2,(H2,2,3,4)(H2,5,6,7);;;/q;3*+1/p-3
InChIKeySFDBJFMMXUVCFG-UHFFFAOYSA-K
MW241.95 g/mol
LogP-11.58
Rot. Bonds2

About trisodium;hydroxy(phosphonatomethyl)phosphinate

trisodium;hydroxy(phosphonatomethyl)phosphinate (PubChem CID 6100359) has the molecular formula CH3Na3O6P2 and a molecular weight of 241.95 g/mol. Its IUPAC name is trisodium;hydroxy(phosphonatomethyl)phosphinate.

Molecular Properties

Compound Nametrisodium;hydroxy(phosphonatomethyl)phosphinate
PubChem CID6100359
Molecular FormulaCH3Na3O6P2
Molecular Weight241.95 g/mol
Exact Mass241.91
IUPAC Nametrisodium;hydroxy(phosphonatomethyl)phosphinate
SMILESO=P([O-])([O-])CP(=O)([O-])O.[Na+].[Na+].[Na+]
InChIInChI=1S/CH6O6P2.3Na/c2-8(3,4)1-9(5,6)7;;;/h1H2,(H2,2,3,4)(H2,5,6,7);;;/q;3*+1/p-3
InChIKeySFDBJFMMXUVCFG-UHFFFAOYSA-K
XLogP-11.58
TPSA123.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.95
LogP ≤ 5-11.58
H-Bond Donors ≤ 51
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 trisodium;hydroxy(phosphonatomethyl)phosphinate?
The IUPAC name of trisodium;hydroxy(phosphonatomethyl)phosphinate (CID 6100359) is trisodium;hydroxy(phosphonatomethyl)phosphinate.
What is the SMILES notation for trisodium;hydroxy(phosphonatomethyl)phosphinate?
The canonical SMILES for trisodium;hydroxy(phosphonatomethyl)phosphinate is O=P([O-])([O-])CP(=O)([O-])O.[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;hydroxy(phosphonatomethyl)phosphinate?
The InChIKey is SFDBJFMMXUVCFG-UHFFFAOYSA-K. The full InChI is InChI=1S/CH6O6P2.3Na/c2-8(3,4)1-9(5,6)7;;;/h1H2,(H2,2,3,4)(H2,5,6,7);;;/q;3*+1/p-3.
What are the key properties of trisodium;hydroxy(phosphonatomethyl)phosphinate?
trisodium;hydroxy(phosphonatomethyl)phosphinate has a molecular weight of 241.95 g/mol, XLogP of -11.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;hydroxy(phosphonatomethyl)phosphinate is sourced from PubChem (CID 6100359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).