sodium carboxymethylsulfanylmethyl(hydroxy)phosphinate

C3H6NaO5PS — CID 134096910

IUPACsodium carboxymethylsulfanylmethyl(hydroxy)phosphinate
SMILESO=C(O)CSCP(=O)([O-])O.[Na+]
InChIInChI=1S/C3H7O5PS.Na/c4-3(5)1-10-2-9(6,7)8;/h1-2H2,(H,4,5)(H2,6,7,8);/q;+1/p-1
InChIKeyCXTIVCCYCLCPQN-UHFFFAOYSA-M
MW208.11 g/mol
LogP-3.69
Rot. Bonds4

About sodium carboxymethylsulfanylmethyl(hydroxy)phosphinate

sodium carboxymethylsulfanylmethyl(hydroxy)phosphinate (PubChem CID 134096910) has the molecular formula C3H6NaO5PS and a molecular weight of 208.11 g/mol. Its IUPAC name is sodium carboxymethylsulfanylmethyl(hydroxy)phosphinate.

Molecular Properties

Compound Namesodium carboxymethylsulfanylmethyl(hydroxy)phosphinate
PubChem CID134096910
Molecular FormulaC3H6NaO5PS
Molecular Weight208.11 g/mol
Exact Mass207.96
IUPAC Namesodium carboxymethylsulfanylmethyl(hydroxy)phosphinate
SMILESO=C(O)CSCP(=O)([O-])O.[Na+]
InChIInChI=1S/C3H7O5PS.Na/c4-3(5)1-10-2-9(6,7)8;/h1-2H2,(H,4,5)(H2,6,7,8);/q;+1/p-1
InChIKeyCXTIVCCYCLCPQN-UHFFFAOYSA-M
XLogP-3.69
TPSA97.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 5-3.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium (carboxymethylamino)methyl-hydroxyphosphinate
CID 23677848
disodium;butanedioic acid;hydrogen phosphate;phosphoric acid
CID 160584781
sodium;2-aminoacetic acid;dihydrogen phosphate;hydrochloride
CID 174054981
sodium;carbonic acid;iron(2+);phosphate
CID 175564930
tetrasodium;carbonic acid;dihydrogen phosphate;phosphate;dodecahydrate
CID 172838951
trisodium;hydrogen carbonate;hydrogen phosphate;dodecahydrate
CID 171618246
2-oxobutanedioic acid;phosphoric acid
CID 174555285
trisodium;hydrogen peroxide;phosphate
CID 161125728
sodium dihydroxy(32P)phosphinate
CID 23694678
disodium;dihydrogen phosphate;2-hydroxypropane-1,2,3-tricarboxylic acid;chloride;hydrate
CID 173345229
trisodium;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphate
CID 22561562
2-[3-[3-[3-(carboxymethylsulfanyl)propylsulfanyl]propylsulfanyl]propylsulfanyl]acetic acid;rhodium-105(3+)
CID 10457749

Frequently Asked Questions

What is the IUPAC name of sodium carboxymethylsulfanylmethyl(hydroxy)phosphinate?
The IUPAC name of sodium carboxymethylsulfanylmethyl(hydroxy)phosphinate (CID 134096910) is sodium carboxymethylsulfanylmethyl(hydroxy)phosphinate.
What is the SMILES notation for sodium carboxymethylsulfanylmethyl(hydroxy)phosphinate?
The canonical SMILES for sodium carboxymethylsulfanylmethyl(hydroxy)phosphinate is O=C(O)CSCP(=O)([O-])O.[Na+].
What is the InChIKey of sodium carboxymethylsulfanylmethyl(hydroxy)phosphinate?
The InChIKey is CXTIVCCYCLCPQN-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7O5PS.Na/c4-3(5)1-10-2-9(6,7)8;/h1-2H2,(H,4,5)(H2,6,7,8);/q;+1/p-1.
What are the key properties of sodium carboxymethylsulfanylmethyl(hydroxy)phosphinate?
sodium carboxymethylsulfanylmethyl(hydroxy)phosphinate has a molecular weight of 208.11 g/mol, XLogP of -3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium carboxymethylsulfanylmethyl(hydroxy)phosphinate is sourced from PubChem (CID 134096910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).