trilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]pentanedioate

C11H11Li3NO5PS — CID 10829566

IUPACtrilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]pentanedioate
SMILESO=C([O-])CC[C@H](NP([O-])(=S)c1ccccc1)C(=O)[O-].[Li+].[Li+].[Li+]
InChIInChI=1S/C11H14NO5PS.3Li/c13-10(14)7-6-9(11(15)16)12-18(17,19)8-4-2-1-3-5-8;;;/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H2,12,17,19);;;/q;3*+1/p-3/t9-,18?;;;/m0.../s1
InChIKeyYOBDMNSIUHAKRE-NNQCIJLCSA-K
MW321.07 g/mol
LogP-11.77
Rot. Bonds7

About trilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]pentanedioate

trilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]pentanedioate (PubChem CID 10829566) has the molecular formula C11H11Li3NO5PS and a molecular weight of 321.07 g/mol. Its IUPAC name is trilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]pentanedioate.

Molecular Properties

Compound Nametrilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]pentanedioate
PubChem CID10829566
Molecular FormulaC11H11Li3NO5PS
Molecular Weight321.07 g/mol
Exact Mass321.06
IUPAC Nametrilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]pentanedioate
SMILESO=C([O-])CC[C@H](NP([O-])(=S)c1ccccc1)C(=O)[O-].[Li+].[Li+].[Li+]
InChIInChI=1S/C11H14NO5PS.3Li/c13-10(14)7-6-9(11(15)16)12-18(17,19)8-4-2-1-3-5-8;;;/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H2,12,17,19);;;/q;3*+1/p-3/t9-,18?;;;/m0.../s1
InChIKeyYOBDMNSIUHAKRE-NNQCIJLCSA-K
XLogP-11.77
TPSA115.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.07
LogP ≤ 5-11.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]pentanedioate?
The IUPAC name of trilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]pentanedioate (CID 10829566) is trilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]pentanedioate.
What is the SMILES notation for trilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]pentanedioate?
The canonical SMILES for trilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]pentanedioate is O=C([O-])CC[C@H](NP([O-])(=S)c1ccccc1)C(=O)[O-].[Li+].[Li+].[Li+].
What is the InChIKey of trilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]pentanedioate?
The InChIKey is YOBDMNSIUHAKRE-NNQCIJLCSA-K. The full InChI is InChI=1S/C11H14NO5PS.3Li/c13-10(14)7-6-9(11(15)16)12-18(17,19)8-4-2-1-3-5-8;;;/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H2,12,17,19);;;/q;3*+1/p-3/t9-,18?;;;/m0.../s1.
What are the key properties of trilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]pentanedioate?
trilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]pentanedioate has a molecular weight of 321.07 g/mol, XLogP of -11.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]pentanedioate is sourced from PubChem (CID 10829566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).