[(3R,4S,5R)-2-oxo-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] trifluoromethanesulfonate

C20H19F3O7S — CID 14759554

IUPAC[(3R,4S,5R)-2-oxo-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] trifluoromethanesulfonate
SMILESO=C1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C20H19F3O7S/c21-20(22,23)31(25,26)30-18-17(28-12-15-9-5-2-6-10-15)16(29-19(18)24)13-27-11-14-7-3-1-4-8-14/h1-10,16-18H,11-13H2/t16-,17+,18-/m1/s1
InChIKeyLQZZXZZTIQTCEK-FGTMMUONSA-N
MW460.43 g/mol
LogP2.95
Rot. Bonds9

About [(3R,4S,5R)-2-oxo-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] trifluoromethanesulfonate

[(3R,4S,5R)-2-oxo-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] trifluoromethanesulfonate (PubChem CID 14759554) has the molecular formula C20H19F3O7S and a molecular weight of 460.43 g/mol. Its IUPAC name is [(3R,4S,5R)-2-oxo-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[(3R,4S,5R)-2-oxo-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] trifluoromethanesulfonate
PubChem CID14759554
Molecular FormulaC20H19F3O7S
Molecular Weight460.43 g/mol
Exact Mass460.08
IUPAC Name[(3R,4S,5R)-2-oxo-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] trifluoromethanesulfonate
SMILESO=C1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C20H19F3O7S/c21-20(22,23)31(25,26)30-18-17(28-12-15-9-5-2-6-10-15)16(29-19(18)24)13-27-11-14-7-3-1-4-8-14/h1-10,16-18H,11-13H2/t16-,17+,18-/m1/s1
InChIKeyLQZZXZZTIQTCEK-FGTMMUONSA-N
XLogP2.95
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(3R,4S,5R)-2-oxo-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] trifluoromethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4R,5R)-3,4-bis(benzyloxy)-5-((benzyloxy)methyl)dihydrofuran-2(3H)-one
CID 11004289
(2R,3R)-2-[(benzoyloxy)methyl]-4,4-difluoro-5-oxooxolan-3-yl benzoate
CID 9821015
(6-Oxo-2-phenyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl) trifluoromethanesulfonate
CID 13890360
benzyl (S)-2-trifluoromethanesulfonyloxybutyrate
CID 86622523
tert-butyl (2S)-3-phenylmethoxy-2-(trifluoromethylsulfonyloxy)propanoate
CID 135079808
(3R,4R,5R)-3,4-Bis(benzyloxy)-5-((benzyloxy)-methyl)dihydrofuran-2(3H)-one
CID 562066
(4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 10686548
Trifluoro-methanesulfonic acid 6-oxo-2-phenyl-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl ester
CID 11474107
(3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydrofuran-2-yl)methyl benzoate
CID 3967679
[(3R,4R,5R)-2-oxo-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] trifluoromethanesulfonate
CID 14759555
[(3S,4R,5R)-2-oxo-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] trifluoromethanesulfonate
CID 14759556
[(3R,4R,5S)-2-oxo-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] trifluoromethanesulfonate
CID 14759557

Frequently Asked Questions

What is the IUPAC name of [(3R,4S,5R)-2-oxo-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] trifluoromethanesulfonate?
The IUPAC name of [(3R,4S,5R)-2-oxo-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] trifluoromethanesulfonate (CID 14759554) is [(3R,4S,5R)-2-oxo-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] trifluoromethanesulfonate.
What is the SMILES notation for [(3R,4S,5R)-2-oxo-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] trifluoromethanesulfonate?
The canonical SMILES for [(3R,4S,5R)-2-oxo-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] trifluoromethanesulfonate is O=C1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OS(=O)(=O)C(F)(F)F.
What is the InChIKey of [(3R,4S,5R)-2-oxo-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] trifluoromethanesulfonate?
The InChIKey is LQZZXZZTIQTCEK-FGTMMUONSA-N. The full InChI is InChI=1S/C20H19F3O7S/c21-20(22,23)31(25,26)30-18-17(28-12-15-9-5-2-6-10-15)16(29-19(18)24)13-27-11-14-7-3-1-4-8-14/h1-10,16-18H,11-13H2/t16-,17+,18-/m1/s1.
What are the key properties of [(3R,4S,5R)-2-oxo-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] trifluoromethanesulfonate?
[(3R,4S,5R)-2-oxo-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] trifluoromethanesulfonate has a molecular weight of 460.43 g/mol, XLogP of 2.95, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,5R)-2-oxo-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] trifluoromethanesulfonate is sourced from PubChem (CID 14759554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).