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

C6H11FO8S — CID 174540211

IUPAC[(3R,4S,5R)-2-fluorooxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] methanesulfonate
SMILESCS(=O)(=O)OC1(OF)O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H11FO8S/c1-16(11,12)15-6(14-7)5(10)4(9)3(2-8)13-6/h3-5,8-10H,2H2,1H3/t3-,4-,5-,6?/m1/s1
InChIKeyZRRVLXUZQRMCOR-JDJSBBGDSA-N
MW262.21 g/mol
LogP-2.37
Rot. Bonds4

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

[(3R,4S,5R)-2-fluorooxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] methanesulfonate (PubChem CID 174540211) has the molecular formula C6H11FO8S and a molecular weight of 262.21 g/mol. Its IUPAC name is [(3R,4S,5R)-2-fluorooxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] methanesulfonate.

Molecular Properties

Compound Name[(3R,4S,5R)-2-fluorooxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] methanesulfonate
PubChem CID174540211
Molecular FormulaC6H11FO8S
Molecular Weight262.21 g/mol
Exact Mass262.02
IUPAC Name[(3R,4S,5R)-2-fluorooxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] methanesulfonate
SMILESCS(=O)(=O)OC1(OF)O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H11FO8S/c1-16(11,12)15-6(14-7)5(10)4(9)3(2-8)13-6/h3-5,8-10H,2H2,1H3/t3-,4-,5-,6?/m1/s1
InChIKeyZRRVLXUZQRMCOR-JDJSBBGDSA-N
XLogP-2.37
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 5-2.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S,5R)-2-fluorooxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] methanesulfonate?
The IUPAC name of [(3R,4S,5R)-2-fluorooxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] methanesulfonate (CID 174540211) is [(3R,4S,5R)-2-fluorooxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] methanesulfonate.
What is the SMILES notation for [(3R,4S,5R)-2-fluorooxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] methanesulfonate?
The canonical SMILES for [(3R,4S,5R)-2-fluorooxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] methanesulfonate is CS(=O)(=O)OC1(OF)O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of [(3R,4S,5R)-2-fluorooxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] methanesulfonate?
The InChIKey is ZRRVLXUZQRMCOR-JDJSBBGDSA-N. The full InChI is InChI=1S/C6H11FO8S/c1-16(11,12)15-6(14-7)5(10)4(9)3(2-8)13-6/h3-5,8-10H,2H2,1H3/t3-,4-,5-,6?/m1/s1.
What are the key properties of [(3R,4S,5R)-2-fluorooxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] methanesulfonate?
[(3R,4S,5R)-2-fluorooxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] methanesulfonate has a molecular weight of 262.21 g/mol, XLogP of -2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,5R)-2-fluorooxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] methanesulfonate is sourced from PubChem (CID 174540211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).