disodium carboxymethyl(ethoxy)phosphinate

C8H16Na2O10P2 — CID 158502512

IUPACdisodium carboxymethyl(ethoxy)phosphinate
SMILESCCOP(=O)([O-])CC(=O)O.CCOP(=O)([O-])CC(=O)O.[Na+].[Na+]
InChIInChI=1S/2C4H9O5P.2Na/c2*1-2-9-10(7,8)3-4(5)6;;/h2*2-3H2,1H3,(H,5,6)(H,7,8);;/q;;2*+1/p-2
InChIKeyHKBJFLXCQMYYMJ-UHFFFAOYSA-L
MW380.13 g/mol
LogP-6.67
Rot. Bonds8

About disodium carboxymethyl(ethoxy)phosphinate

disodium carboxymethyl(ethoxy)phosphinate (PubChem CID 158502512) has the molecular formula C8H16Na2O10P2 and a molecular weight of 380.13 g/mol. Its IUPAC name is disodium carboxymethyl(ethoxy)phosphinate.

Molecular Properties

Compound Namedisodium carboxymethyl(ethoxy)phosphinate
PubChem CID158502512
Molecular FormulaC8H16Na2O10P2
Molecular Weight380.13 g/mol
Exact Mass380.00
IUPAC Namedisodium carboxymethyl(ethoxy)phosphinate
SMILESCCOP(=O)([O-])CC(=O)O.CCOP(=O)([O-])CC(=O)O.[Na+].[Na+]
InChIInChI=1S/2C4H9O5P.2Na/c2*1-2-9-10(7,8)3-4(5)6;;/h2*2-3H2,1H3,(H,5,6)(H,7,8);;/q;;2*+1/p-2
InChIKeyHKBJFLXCQMYYMJ-UHFFFAOYSA-L
XLogP-6.67
TPSA173.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.13
LogP ≤ 5-6.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-Tris[ethoxy(hydroxy)phosphoryl]acetic acid
CID 18352692
2,2,2-Tris[hydroxy(propoxy)phosphoryl]acetic acid
CID 17841416
2,2,2-Tris[butoxy(hydroxy)phosphoryl]acetic acid
CID 17841422
3,3-Bis(diethoxyphosphoryl)propanoic acid
CID 19689030
2,2,2-Tris[ethylperoxy(hydroxy)phosphoryl]acetic acid
CID 22023181
2,2,3-Tris[ethoxy(hydroxy)phosphoryl]propanoic acid
CID 22319469
(2-Acetyloxy-2-diethoxyphosphorylethyl)phosphonic acid
CID 53768496
2-Diethoxyphosphoryl-2-phosphonoacetic acid
CID 53939322
Disodium carboxy(ethoxy)phosphinate
CID 86734676
Butane;2-diethoxyphosphorylacetic acid
CID 87332578
Bis(2-diethoxyphosphorylacetate);lead(2+)
CID 87367874
2,2,3-Tris[hydroxy(propoxy)phosphoryl]propanoic acid
CID 87766532

Frequently Asked Questions

What is the IUPAC name of disodium carboxymethyl(ethoxy)phosphinate?
The IUPAC name of disodium carboxymethyl(ethoxy)phosphinate (CID 158502512) is disodium carboxymethyl(ethoxy)phosphinate.
What is the SMILES notation for disodium carboxymethyl(ethoxy)phosphinate?
The canonical SMILES for disodium carboxymethyl(ethoxy)phosphinate is CCOP(=O)([O-])CC(=O)O.CCOP(=O)([O-])CC(=O)O.[Na+].[Na+].
What is the InChIKey of disodium carboxymethyl(ethoxy)phosphinate?
The InChIKey is HKBJFLXCQMYYMJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H9O5P.2Na/c2*1-2-9-10(7,8)3-4(5)6;;/h2*2-3H2,1H3,(H,5,6)(H,7,8);;/q;;2*+1/p-2.
What are the key properties of disodium carboxymethyl(ethoxy)phosphinate?
disodium carboxymethyl(ethoxy)phosphinate has a molecular weight of 380.13 g/mol, XLogP of -6.67, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium carboxymethyl(ethoxy)phosphinate is sourced from PubChem (CID 158502512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).