potassium hydroxy-[[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane

C5H10KO5PS — CID 160640331

IUPACpotassium hydroxy-[[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane
SMILESC[C@H]1OC[C@@H](COP([O-])(O)=S)O1.[K+]
InChIInChI=1S/C5H11O5PS.K/c1-4-8-2-5(10-4)3-9-11(6,7)12;/h4-5H,2-3H2,1H3,(H2,6,7,12);/q;+1/p-1/t4-,5-;/m0./s1
InChIKeyMWMLKDHONHVAAH-FHAQVOQBSA-M
MW252.27 g/mol
LogP-3.65
Rot. Bonds3

About potassium hydroxy-[[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane

potassium hydroxy-[[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane (PubChem CID 160640331) has the molecular formula C5H10KO5PS and a molecular weight of 252.27 g/mol. Its IUPAC name is potassium hydroxy-[[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namepotassium hydroxy-[[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane
PubChem CID160640331
Molecular FormulaC5H10KO5PS
Molecular Weight252.27 g/mol
Exact Mass251.96
IUPAC Namepotassium hydroxy-[[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane
SMILESC[C@H]1OC[C@@H](COP([O-])(O)=S)O1.[K+]
InChIInChI=1S/C5H11O5PS.K/c1-4-8-2-5(10-4)3-9-11(6,7)12;/h4-5H,2-3H2,1H3,(H2,6,7,12);/q;+1/p-1/t4-,5-;/m0./s1
InChIKeyMWMLKDHONHVAAH-FHAQVOQBSA-M
XLogP-3.65
TPSA70.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-3.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze potassium hydroxy-[[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane with MolForge

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Related Compounds

diethyl (2-methyl-1,3-dioxolan-4-yl)methyl phosphate
CID 11972014
[(2S,4S)-2-[(E)-heptadec-9-enyl]-1,3-dioxolan-4-yl]methoxy-hydroxy-oxido-sulfanylidene-λ5-phosphane
CID 91936388
[(2R,4R)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 12832915
(2S,4R)-2-methyl-4-propyl-1,3-dioxolane
CID 131847771
2-(2-methyl-1,3-dioxolan-4-yl)ethanamine
CID 117169771
[(2R,4R)-2-[(Z)-heptadec-8-enyl]-1,3-dioxolan-4-yl]methoxy-dihydroxy-sulfanylidene-λ5-phosphane
CID 58758371
1-[(2R,5S)-5-[[hydroxy(oxido)phosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 164835448
oxiran-2-ylmethyl dihydrogen phosphate;2-propyloxirane
CID 118412815
[(2S,4S)-2-[(E)-heptadec-9-enyl]-1,3-dioxolan-4-yl]methyl hydrogen phosphate
CID 91936393
[2-[(Z)-heptadec-8-enyl]-1,3-dioxolan-4-yl]methyl hydrogen phosphate
CID 58758375
CID 59971478
CID 59971478
N-hydroxy-N-methyl-2-(2-methyl-1,3-dioxolan-4-yl)acetamide
CID 21306104

Frequently Asked Questions

What is the IUPAC name of potassium hydroxy-[[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane?
The IUPAC name of potassium hydroxy-[[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane (CID 160640331) is potassium hydroxy-[[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for potassium hydroxy-[[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for potassium hydroxy-[[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane is C[C@H]1OC[C@@H](COP([O-])(O)=S)O1.[K+].
What is the InChIKey of potassium hydroxy-[[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane?
The InChIKey is MWMLKDHONHVAAH-FHAQVOQBSA-M. The full InChI is InChI=1S/C5H11O5PS.K/c1-4-8-2-5(10-4)3-9-11(6,7)12;/h4-5H,2-3H2,1H3,(H2,6,7,12);/q;+1/p-1/t4-,5-;/m0./s1.
What are the key properties of potassium hydroxy-[[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane?
potassium hydroxy-[[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane has a molecular weight of 252.27 g/mol, XLogP of -3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium hydroxy-[[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 160640331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).