[(2R,3S,5S)-5-hydroxy-3-(trifluoromethylsulfonyloxy)oxolan-2-yl]methyl acetate

C8H11F3O7S — CID 88884440

IUPAC[(2R,3S,5S)-5-hydroxy-3-(trifluoromethylsulfonyloxy)oxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](O)C[C@@H]1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H11F3O7S/c1-4(12)16-3-6-5(2-7(13)17-6)18-19(14,15)8(9,10)11/h5-7,13H,2-3H2,1H3/t5-,6+,7-/m0/s1
InChIKeyQQCSKXUVZGEOHY-XVMARJQXSA-N
MW308.23 g/mol
LogP-0.11
Rot. Bonds4

About [(2R,3S,5S)-5-hydroxy-3-(trifluoromethylsulfonyloxy)oxolan-2-yl]methyl acetate

[(2R,3S,5S)-5-hydroxy-3-(trifluoromethylsulfonyloxy)oxolan-2-yl]methyl acetate (PubChem CID 88884440) has the molecular formula C8H11F3O7S and a molecular weight of 308.23 g/mol. Its IUPAC name is [(2R,3S,5S)-5-hydroxy-3-(trifluoromethylsulfonyloxy)oxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,5S)-5-hydroxy-3-(trifluoromethylsulfonyloxy)oxolan-2-yl]methyl acetate
PubChem CID88884440
Molecular FormulaC8H11F3O7S
Molecular Weight308.23 g/mol
Exact Mass308.02
IUPAC Name[(2R,3S,5S)-5-hydroxy-3-(trifluoromethylsulfonyloxy)oxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](O)C[C@@H]1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H11F3O7S/c1-4(12)16-3-6-5(2-7(13)17-6)18-19(14,15)8(9,10)11/h5-7,13H,2-3H2,1H3/t5-,6+,7-/m0/s1
InChIKeyQQCSKXUVZGEOHY-XVMARJQXSA-N
XLogP-0.11
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3R,4S,6S)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 124546051
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 12903120
[(3S,4S,6R)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 12903122
[(2R,3R,4S,5S,6S)-3,4,6-triacetyloxy-5-(trifluoromethylsulfonyloxy)oxan-2-yl]methyl acetate;trifluoromethanesulfonic acid
CID 162197672
[(2R,3R,4R,6R)-3,4,6-trihydroxyoxan-2-yl]methyl acetate
CID 70946424
[(2R,3S,4S,5R,6R)-4-acetyloxy-6-methoxy-3,5-bis(trifluoromethylsulfonyloxy)oxan-2-yl]methyl acetate
CID 16663872
[(3aR,5R,6R,6aR)-2,2-dimethyl-6-(trifluoromethylsulfonyloxy)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate
CID 88884433
[(5R)-2,2-dimethyl-6-(trifluoromethylsulfonyloxy)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate
CID 46208385
(4-hydroxyoxetan-2-yl)methyl acetate
CID 67977653
[(2S)-4-hydroxyoxetan-2-yl]methyl acetate
CID 67977655
[(3aR,4R,6S,6aS)-2,2,3a-trimethyl-6-(trifluoromethylsulfonyloxy)-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-yl]methyl acetate
CID 134867358
[(2R,3R,4S,5S,6R)-3,4-diacetyloxy-6-prop-2-ynoxy-5-(trifluoromethylsulfonyloxy)oxan-2-yl]methyl acetate
CID 101465001

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5S)-5-hydroxy-3-(trifluoromethylsulfonyloxy)oxolan-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,5S)-5-hydroxy-3-(trifluoromethylsulfonyloxy)oxolan-2-yl]methyl acetate (CID 88884440) is [(2R,3S,5S)-5-hydroxy-3-(trifluoromethylsulfonyloxy)oxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,5S)-5-hydroxy-3-(trifluoromethylsulfonyloxy)oxolan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,5S)-5-hydroxy-3-(trifluoromethylsulfonyloxy)oxolan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@H](O)C[C@@H]1OS(=O)(=O)C(F)(F)F.
What is the InChIKey of [(2R,3S,5S)-5-hydroxy-3-(trifluoromethylsulfonyloxy)oxolan-2-yl]methyl acetate?
The InChIKey is QQCSKXUVZGEOHY-XVMARJQXSA-N. The full InChI is InChI=1S/C8H11F3O7S/c1-4(12)16-3-6-5(2-7(13)17-6)18-19(14,15)8(9,10)11/h5-7,13H,2-3H2,1H3/t5-,6+,7-/m0/s1.
What are the key properties of [(2R,3S,5S)-5-hydroxy-3-(trifluoromethylsulfonyloxy)oxolan-2-yl]methyl acetate?
[(2R,3S,5S)-5-hydroxy-3-(trifluoromethylsulfonyloxy)oxolan-2-yl]methyl acetate has a molecular weight of 308.23 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5S)-5-hydroxy-3-(trifluoromethylsulfonyloxy)oxolan-2-yl]methyl acetate is sourced from PubChem (CID 88884440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).