[(1S,2S)-2-hydroxy-1-methylsulfonyloxypropyl]phosphonic acid

C4H11O7PS — CID 18639918

IUPAC[(1S,2S)-2-hydroxy-1-methylsulfonyloxypropyl]phosphonic acid
SMILESC[C@H](O)[C@@H](OS(C)(=O)=O)P(=O)(O)O
InChIInChI=1S/C4H11O7PS/c1-3(5)4(12(6,7)8)11-13(2,9)10/h3-5H,1-2H3,(H2,6,7,8)/t3-,4-/m0/s1
InChIKeyKTZHKSQSCPHHMC-IMJSIDKUSA-N
MW234.17 g/mol
LogP-1.15
Rot. Bonds4

About [(1S,2S)-2-hydroxy-1-methylsulfonyloxypropyl]phosphonic acid

[(1S,2S)-2-hydroxy-1-methylsulfonyloxypropyl]phosphonic acid (PubChem CID 18639918) has the molecular formula C4H11O7PS and a molecular weight of 234.17 g/mol. Its IUPAC name is [(1S,2S)-2-hydroxy-1-methylsulfonyloxypropyl]phosphonic acid.

Molecular Properties

Compound Name[(1S,2S)-2-hydroxy-1-methylsulfonyloxypropyl]phosphonic acid
PubChem CID18639918
Molecular FormulaC4H11O7PS
Molecular Weight234.17 g/mol
Exact Mass234.00
IUPAC Name[(1S,2S)-2-hydroxy-1-methylsulfonyloxypropyl]phosphonic acid
SMILESC[C@H](O)[C@@H](OS(C)(=O)=O)P(=O)(O)O
InChIInChI=1S/C4H11O7PS/c1-3(5)4(12(6,7)8)11-13(2,9)10/h3-5H,1-2H3,(H2,6,7,8)/t3-,4-/m0/s1
InChIKeyKTZHKSQSCPHHMC-IMJSIDKUSA-N
XLogP-1.15
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;1-hydroxyethyl methanesulfonate
CID 175023295
methylsulfonyloxy(propan-2-yl)phosphinic acid
CID 87517622
3-methylsulfonylbutan-2-ol
CID 13461367
1-fluoroethyl methanesulfonate
CID 21114842
methanesulfonic acid;1-sulfanylethanol
CID 174795676
[(2R,3R,4S,5S)-1,2,5,6-tetrahydroxy-4-methylsulfonyloxyhexan-3-yl] methanesulfonate
CID 98505816
methyl 2-methylsulfonyloxypropanoate
CID 11480830
[(2R,3R,4R,5S)-1,2,5,6-tetrahydroxy-4-methylsulfonyloxyhexan-3-yl] methanesulfonate
CID 98505818
methylphosphonic acid;2-propan-2-ylsulfonylpropane
CID 87563498
dihydroxymethylphosphonic acid
CID 13034651
but-3-yn-2-yl methanesulfonate
CID 5461178
[(3R,6R)-2,7-dimethyl-6-methylsulfonyloxyoctan-3-yl] methanesulfonate
CID 134886096

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-hydroxy-1-methylsulfonyloxypropyl]phosphonic acid?
The IUPAC name of [(1S,2S)-2-hydroxy-1-methylsulfonyloxypropyl]phosphonic acid (CID 18639918) is [(1S,2S)-2-hydroxy-1-methylsulfonyloxypropyl]phosphonic acid.
What is the SMILES notation for [(1S,2S)-2-hydroxy-1-methylsulfonyloxypropyl]phosphonic acid?
The canonical SMILES for [(1S,2S)-2-hydroxy-1-methylsulfonyloxypropyl]phosphonic acid is C[C@H](O)[C@@H](OS(C)(=O)=O)P(=O)(O)O.
What is the InChIKey of [(1S,2S)-2-hydroxy-1-methylsulfonyloxypropyl]phosphonic acid?
The InChIKey is KTZHKSQSCPHHMC-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H11O7PS/c1-3(5)4(12(6,7)8)11-13(2,9)10/h3-5H,1-2H3,(H2,6,7,8)/t3-,4-/m0/s1.
What are the key properties of [(1S,2S)-2-hydroxy-1-methylsulfonyloxypropyl]phosphonic acid?
[(1S,2S)-2-hydroxy-1-methylsulfonyloxypropyl]phosphonic acid has a molecular weight of 234.17 g/mol, XLogP of -1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-hydroxy-1-methylsulfonyloxypropyl]phosphonic acid is sourced from PubChem (CID 18639918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).