trisodium;(carboxymethylamino)methyl-hydroxyphosphinate;2-(phosphonatomethylamino)acetic acid

C6H13N2Na3O10P2 — CID 71463591

IUPACtrisodium;(carboxymethylamino)methyl-hydroxyphosphinate;2-(phosphonatomethylamino)acetic acid
SMILESO=C(O)CNCP(=O)([O-])O.O=C(O)CNCP(=O)([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/2C3H8NO5P.3Na/c2*5-3(6)1-4-2-10(7,8)9;;;/h2*4H,1-2H2,(H,5,6)(H2,7,8,9);;;/q;;3*+1/p-3
InChIKeyICESBGJHRQHALQ-UHFFFAOYSA-K
MW404.09 g/mol
LogP-13.29
Rot. Bonds8

About trisodium;(carboxymethylamino)methyl-hydroxyphosphinate;2-(phosphonatomethylamino)acetic acid

trisodium;(carboxymethylamino)methyl-hydroxyphosphinate;2-(phosphonatomethylamino)acetic acid (PubChem CID 71463591) has the molecular formula C6H13N2Na3O10P2 and a molecular weight of 404.09 g/mol. Its IUPAC name is trisodium;(carboxymethylamino)methyl-hydroxyphosphinate;2-(phosphonatomethylamino)acetic acid.

Molecular Properties

Compound Nametrisodium;(carboxymethylamino)methyl-hydroxyphosphinate;2-(phosphonatomethylamino)acetic acid
PubChem CID71463591
Molecular FormulaC6H13N2Na3O10P2
Molecular Weight404.09 g/mol
Exact Mass403.97
IUPAC Nametrisodium;(carboxymethylamino)methyl-hydroxyphosphinate;2-(phosphonatomethylamino)acetic acid
SMILESO=C(O)CNCP(=O)([O-])O.O=C(O)CNCP(=O)([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/2C3H8NO5P.3Na/c2*5-3(6)1-4-2-10(7,8)9;;;/h2*4H,1-2H2,(H,5,6)(H2,7,8,9);;;/q;;3*+1/p-3
InChIKeyICESBGJHRQHALQ-UHFFFAOYSA-K
XLogP-13.29
TPSA222.21 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.09
LogP ≤ 5-13.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze trisodium;(carboxymethylamino)methyl-hydroxyphosphinate;2-(phosphonatomethylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trisodium;(carboxymethylamino)methyl-hydroxyphosphinate;2-(phosphonatomethylamino)acetic acid?
The IUPAC name of trisodium;(carboxymethylamino)methyl-hydroxyphosphinate;2-(phosphonatomethylamino)acetic acid (CID 71463591) is trisodium;(carboxymethylamino)methyl-hydroxyphosphinate;2-(phosphonatomethylamino)acetic acid.
What is the SMILES notation for trisodium;(carboxymethylamino)methyl-hydroxyphosphinate;2-(phosphonatomethylamino)acetic acid?
The canonical SMILES for trisodium;(carboxymethylamino)methyl-hydroxyphosphinate;2-(phosphonatomethylamino)acetic acid is O=C(O)CNCP(=O)([O-])O.O=C(O)CNCP(=O)([O-])[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;(carboxymethylamino)methyl-hydroxyphosphinate;2-(phosphonatomethylamino)acetic acid?
The InChIKey is ICESBGJHRQHALQ-UHFFFAOYSA-K. The full InChI is InChI=1S/2C3H8NO5P.3Na/c2*5-3(6)1-4-2-10(7,8)9;;;/h2*4H,1-2H2,(H,5,6)(H2,7,8,9);;;/q;;3*+1/p-3.
What are the key properties of trisodium;(carboxymethylamino)methyl-hydroxyphosphinate;2-(phosphonatomethylamino)acetic acid?
trisodium;(carboxymethylamino)methyl-hydroxyphosphinate;2-(phosphonatomethylamino)acetic acid has a molecular weight of 404.09 g/mol, XLogP of -13.29, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;(carboxymethylamino)methyl-hydroxyphosphinate;2-(phosphonatomethylamino)acetic acid is sourced from PubChem (CID 71463591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).