[(2S)-3-methoxy-2-[(2R)-oxiran-2-yl]propyl] methanesulfonate

C7H14O5S — CID 87381489

IUPAC[(2S)-3-methoxy-2-[(2R)-oxiran-2-yl]propyl] methanesulfonate
SMILESCOC[C@@H](COS(C)(=O)=O)[C@@H]1CO1
InChIInChI=1S/C7H14O5S/c1-10-3-6(7-5-11-7)4-12-13(2,8)9/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyZNGNZOXWSYUIDT-BQBZGAKWSA-N
MW210.25 g/mol
LogP-0.38
Rot. Bonds6

About [(2S)-3-methoxy-2-[(2R)-oxiran-2-yl]propyl] methanesulfonate

[(2S)-3-methoxy-2-[(2R)-oxiran-2-yl]propyl] methanesulfonate (PubChem CID 87381489) has the molecular formula C7H14O5S and a molecular weight of 210.25 g/mol. Its IUPAC name is [(2S)-3-methoxy-2-[(2R)-oxiran-2-yl]propyl] methanesulfonate.

Molecular Properties

Compound Name[(2S)-3-methoxy-2-[(2R)-oxiran-2-yl]propyl] methanesulfonate
PubChem CID87381489
Molecular FormulaC7H14O5S
Molecular Weight210.25 g/mol
Exact Mass210.06
IUPAC Name[(2S)-3-methoxy-2-[(2R)-oxiran-2-yl]propyl] methanesulfonate
SMILESCOC[C@@H](COS(C)(=O)=O)[C@@H]1CO1
InChIInChI=1S/C7H14O5S/c1-10-3-6(7-5-11-7)4-12-13(2,8)9/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyZNGNZOXWSYUIDT-BQBZGAKWSA-N
XLogP-0.38
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-Oxiraneethanol, 2-methanesulfonate, (2R)-
CID 11030184
2-[(2S)-oxiran-2-yl]ethyl methanesulfonate
CID 12689935
2-(Oxiran-2-yl)ethyl methanesulfonate
CID 12689934
[(2R)-3-methoxy-2-[(2R)-oxiran-2-yl]propyl] methanesulfonate
CID 87381488
[3-methoxy-2-[(2R)-oxiran-2-yl]propyl] methanesulfonate
CID 87381490
1-(Oxetan-3-yl)ethyl methanesulfonate
CID 89846902
2-(Oxiran-2-yl)butyl methanesulfonate
CID 141179782
[2-methyl-2-[(2S)-oxiran-2-yl]propyl] methanesulfonate
CID 15934763

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-methoxy-2-[(2R)-oxiran-2-yl]propyl] methanesulfonate?
The IUPAC name of [(2S)-3-methoxy-2-[(2R)-oxiran-2-yl]propyl] methanesulfonate (CID 87381489) is [(2S)-3-methoxy-2-[(2R)-oxiran-2-yl]propyl] methanesulfonate.
What is the SMILES notation for [(2S)-3-methoxy-2-[(2R)-oxiran-2-yl]propyl] methanesulfonate?
The canonical SMILES for [(2S)-3-methoxy-2-[(2R)-oxiran-2-yl]propyl] methanesulfonate is COC[C@@H](COS(C)(=O)=O)[C@@H]1CO1.
What is the InChIKey of [(2S)-3-methoxy-2-[(2R)-oxiran-2-yl]propyl] methanesulfonate?
The InChIKey is ZNGNZOXWSYUIDT-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H14O5S/c1-10-3-6(7-5-11-7)4-12-13(2,8)9/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of [(2S)-3-methoxy-2-[(2R)-oxiran-2-yl]propyl] methanesulfonate?
[(2S)-3-methoxy-2-[(2R)-oxiran-2-yl]propyl] methanesulfonate has a molecular weight of 210.25 g/mol, XLogP of -0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-methoxy-2-[(2R)-oxiran-2-yl]propyl] methanesulfonate is sourced from PubChem (CID 87381489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).