2-[hydroxy(methyl)phosphoryl]oxyethylsulfanyl-methylphosphinate

C4H11O5P2S- — CID 59267129

IUPAC2-[hydroxy(methyl)phosphoryl]oxyethylsulfanyl-methylphosphinate
SMILESCP(=O)(O)OCCSP(C)(=O)[O-]
InChIInChI=1S/C4H12O5P2S/c1-10(5,6)9-3-4-12-11(2,7)8/h3-4H2,1-2H3,(H,5,6)(H,7,8)/p-1
InChIKeyCLDMNYSJALUJHZ-UHFFFAOYSA-M
MW233.14 g/mol
LogP0.73
Rot. Bonds5

About 2-[hydroxy(methyl)phosphoryl]oxyethylsulfanyl-methylphosphinate

2-[hydroxy(methyl)phosphoryl]oxyethylsulfanyl-methylphosphinate (PubChem CID 59267129) has the molecular formula C4H11O5P2S- and a molecular weight of 233.14 g/mol. Its IUPAC name is 2-[hydroxy(methyl)phosphoryl]oxyethylsulfanyl-methylphosphinate.

Molecular Properties

Compound Name2-[hydroxy(methyl)phosphoryl]oxyethylsulfanyl-methylphosphinate
PubChem CID59267129
Molecular FormulaC4H11O5P2S-
Molecular Weight233.14 g/mol
Exact Mass232.98
IUPAC Name2-[hydroxy(methyl)phosphoryl]oxyethylsulfanyl-methylphosphinate
SMILESCP(=O)(O)OCCSP(C)(=O)[O-]
InChIInChI=1S/C4H12O5P2S/c1-10(5,6)9-3-4-12-11(2,7)8/h3-4H2,1-2H3,(H,5,6)(H,7,8)/p-1
InChIKeyCLDMNYSJALUJHZ-UHFFFAOYSA-M
XLogP0.73
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[hydroxy-[2-[2-[2-[2-[2-(2-phosphonooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-methylphosphinic acid
CID 174196734
(3-amino-3-oxopropoxy)-methylphosphinic acid
CID 71382288
2-ethylsulfinylethoxy(methyl)phosphinic acid
CID 175986683
5-[hydroxy(methyl)phosphoryl]oxypentanoic acid
CID 139636947
methyl(6-sulfanylhexoxy)phosphinic acid
CID 59539997
4-[ethoxy(hydroxy)phosphoryl]oxybutoxy-methylphosphinic acid
CID 58291192
6-aminohexoxy(methyl)phosphinic acid;ethane
CID 166146480
[(3E)-hexa-3,5-dienoxy]-methylphosphinic acid
CID 20726647
2-(diaminomethylideneamino)ethoxy-methylphosphinic acid
CID 3327890
ethoxy(2-ethoxyethylsulfanyl)phosphinic acid;hydrochloride
CID 88697617
bis(chromium(3+));hydrogen phosphate
CID 19708255
methyl-[10-(2-methylprop-2-enoyloxy)decoxy]phosphinic acid
CID 164973932

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(methyl)phosphoryl]oxyethylsulfanyl-methylphosphinate?
The IUPAC name of 2-[hydroxy(methyl)phosphoryl]oxyethylsulfanyl-methylphosphinate (CID 59267129) is 2-[hydroxy(methyl)phosphoryl]oxyethylsulfanyl-methylphosphinate.
What is the SMILES notation for 2-[hydroxy(methyl)phosphoryl]oxyethylsulfanyl-methylphosphinate?
The canonical SMILES for 2-[hydroxy(methyl)phosphoryl]oxyethylsulfanyl-methylphosphinate is CP(=O)(O)OCCSP(C)(=O)[O-].
What is the InChIKey of 2-[hydroxy(methyl)phosphoryl]oxyethylsulfanyl-methylphosphinate?
The InChIKey is CLDMNYSJALUJHZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12O5P2S/c1-10(5,6)9-3-4-12-11(2,7)8/h3-4H2,1-2H3,(H,5,6)(H,7,8)/p-1.
What are the key properties of 2-[hydroxy(methyl)phosphoryl]oxyethylsulfanyl-methylphosphinate?
2-[hydroxy(methyl)phosphoryl]oxyethylsulfanyl-methylphosphinate has a molecular weight of 233.14 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(methyl)phosphoryl]oxyethylsulfanyl-methylphosphinate is sourced from PubChem (CID 59267129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).