[(3R,4R,5R)-2-fluorooxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate

C6H11FO7S — CID 174540210

IUPAC[(3R,4R,5R)-2-fluorooxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate
SMILESCS(=O)(=O)O[C@H]1C(OF)O[C@H](CO)[C@H]1O
InChIInChI=1S/C6H11FO7S/c1-15(10,11)14-5-4(9)3(2-8)12-6(5)13-7/h3-6,8-9H,2H2,1H3/t3-,4-,5-,6?/m1/s1
InChIKeyDXBQEPAQNZDMJE-JDJSBBGDSA-N
MW246.21 g/mol
LogP-1.69
Rot. Bonds4

About [(3R,4R,5R)-2-fluorooxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate

[(3R,4R,5R)-2-fluorooxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate (PubChem CID 174540210) has the molecular formula C6H11FO7S and a molecular weight of 246.21 g/mol. Its IUPAC name is [(3R,4R,5R)-2-fluorooxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate.

Molecular Properties

Compound Name[(3R,4R,5R)-2-fluorooxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate
PubChem CID174540210
Molecular FormulaC6H11FO7S
Molecular Weight246.21 g/mol
Exact Mass246.02
IUPAC Name[(3R,4R,5R)-2-fluorooxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate
SMILESCS(=O)(=O)O[C@H]1C(OF)O[C@H](CO)[C@H]1O
InChIInChI=1S/C6H11FO7S/c1-15(10,11)14-5-4(9)3(2-8)12-6(5)13-7/h3-6,8-9H,2H2,1H3/t3-,4-,5-,6?/m1/s1
InChIKeyDXBQEPAQNZDMJE-JDJSBBGDSA-N
XLogP-1.69
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R)-2-fluorooxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate?
The IUPAC name of [(3R,4R,5R)-2-fluorooxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate (CID 174540210) is [(3R,4R,5R)-2-fluorooxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate.
What is the SMILES notation for [(3R,4R,5R)-2-fluorooxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate?
The canonical SMILES for [(3R,4R,5R)-2-fluorooxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate is CS(=O)(=O)O[C@H]1C(OF)O[C@H](CO)[C@H]1O.
What is the InChIKey of [(3R,4R,5R)-2-fluorooxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate?
The InChIKey is DXBQEPAQNZDMJE-JDJSBBGDSA-N. The full InChI is InChI=1S/C6H11FO7S/c1-15(10,11)14-5-4(9)3(2-8)12-6(5)13-7/h3-6,8-9H,2H2,1H3/t3-,4-,5-,6?/m1/s1.
What are the key properties of [(3R,4R,5R)-2-fluorooxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate?
[(3R,4R,5R)-2-fluorooxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate has a molecular weight of 246.21 g/mol, XLogP of -1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5R)-2-fluorooxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate is sourced from PubChem (CID 174540210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).