[(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-(methylsulfonyloxymethyl)-3,4-dihydro-2H-furan-2-id-3-yl] trifluoromethanesulfonate;uranium

C25H32F3O8S2SiU- — CID 59509634

IUPAC[(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-(methylsulfonyloxymethyl)-3,4-dihydro-2H-furan-2-id-3-yl] trifluoromethanesulfonate;uranium
SMILESC[C@H]1[C@H](OS(=O)(=O)C(F)(F)F)[CH-]O[C@@]1(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)COS(C)(=O)=O.[U]
InChIInChI=1S/C25H32F3O8S2Si.U/c1-19-22(36-38(31,32)25(26,27)28)16-33-24(19,17-34-37(5,29)30)18-35-39(23(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21;/h6-16,19,22H,17-18H2,1-5H3;/q-1;/t19-,22+,24+;/m0./s1
InChIKeyPEIDAHYHSIJEJR-OBSCXFHASA-N
MW847.77 g/mol
LogP3.34
Rot. Bonds10

About [(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-(methylsulfonyloxymethyl)-3,4-dihydro-2H-furan-2-id-3-yl] trifluoromethanesulfonate;uranium

[(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-(methylsulfonyloxymethyl)-3,4-dihydro-2H-furan-2-id-3-yl] trifluoromethanesulfonate;uranium (PubChem CID 59509634) has the molecular formula C25H32F3O8S2SiU- and a molecular weight of 847.77 g/mol. Its IUPAC name is [(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-(methylsulfonyloxymethyl)-3,4-dihydro-2H-furan-2-id-3-yl] trifluoromethanesulfonate;uranium.

Molecular Properties

Compound Name[(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-(methylsulfonyloxymethyl)-3,4-dihydro-2H-furan-2-id-3-yl] trifluoromethanesulfonate;uranium
PubChem CID59509634
Molecular FormulaC25H32F3O8S2SiU-
Molecular Weight847.77 g/mol
Exact Mass847.18
IUPAC Name[(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-(methylsulfonyloxymethyl)-3,4-dihydro-2H-furan-2-id-3-yl] trifluoromethanesulfonate;uranium
SMILESC[C@H]1[C@H](OS(=O)(=O)C(F)(F)F)[CH-]O[C@@]1(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)COS(C)(=O)=O.[U]
InChIInChI=1S/C25H32F3O8S2Si.U/c1-19-22(36-38(31,32)25(26,27)28)16-33-24(19,17-34-37(5,29)30)18-35-39(23(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21;/h6-16,19,22H,17-18H2,1-5H3;/q-1;/t19-,22+,24+;/m0./s1
InChIKeyPEIDAHYHSIJEJR-OBSCXFHASA-N
XLogP3.34
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500847.77
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Trifluoro-methanesulfonic acid (4R,5S)-5-[2-(tert-butyl-diphenyl-silanyloxy)-ethyl]-2,2-dimethyl-[1,3]dioxolan-4-ylmethyl ester
CID 86672800
[2-[5-[[Tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-yl]-2,2-difluoroethyl] methanesulfonate
CID 175459290
[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxolan-2-yl]ethyl] trifluoromethanesulfonate
CID 15318690
[(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] trifluoromethanesulfonate
CID 59509635
[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2S)-oxolan-2-yl]ethyl] trifluoromethanesulfonate
CID 101714524
2-[2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-3-methylsulfonyloxybutoxy]ethyl methanesulfonate
CID 18790463
[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-[(1R)-1-methylsulfonyloxyethyl]-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium
CID 57543389
[(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-4-methyl-3,4-dihydro-2H-furan-2-id-5-yl]methyl methanesulfonate;uranium
CID 59509674
[(3R,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3-methylsulfonyloxy-3,4-dihydro-2H-furan-2-id-5-yl]methyl methanesulfonate;uranium
CID 59509745
[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(2-methoxy-1-methylsulfonyloxyethyl)-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium
CID 59751259
[5-[2-[Tert-butyl(diphenyl)silyl]oxy-1-methylsulfonyloxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 142698960
[(4S)-4-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylsulfonyloxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 11093231

Frequently Asked Questions

What is the IUPAC name of [(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-(methylsulfonyloxymethyl)-3,4-dihydro-2H-furan-2-id-3-yl] trifluoromethanesulfonate;uranium?
The IUPAC name of [(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-(methylsulfonyloxymethyl)-3,4-dihydro-2H-furan-2-id-3-yl] trifluoromethanesulfonate;uranium (CID 59509634) is [(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-(methylsulfonyloxymethyl)-3,4-dihydro-2H-furan-2-id-3-yl] trifluoromethanesulfonate;uranium.
What is the SMILES notation for [(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-(methylsulfonyloxymethyl)-3,4-dihydro-2H-furan-2-id-3-yl] trifluoromethanesulfonate;uranium?
The canonical SMILES for [(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-(methylsulfonyloxymethyl)-3,4-dihydro-2H-furan-2-id-3-yl] trifluoromethanesulfonate;uranium is C[C@H]1[C@H](OS(=O)(=O)C(F)(F)F)[CH-]O[C@@]1(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)COS(C)(=O)=O.[U].
What is the InChIKey of [(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-(methylsulfonyloxymethyl)-3,4-dihydro-2H-furan-2-id-3-yl] trifluoromethanesulfonate;uranium?
The InChIKey is PEIDAHYHSIJEJR-OBSCXFHASA-N. The full InChI is InChI=1S/C25H32F3O8S2Si.U/c1-19-22(36-38(31,32)25(26,27)28)16-33-24(19,17-34-37(5,29)30)18-35-39(23(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21;/h6-16,19,22H,17-18H2,1-5H3;/q-1;/t19-,22+,24+;/m0./s1.
What are the key properties of [(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-(methylsulfonyloxymethyl)-3,4-dihydro-2H-furan-2-id-3-yl] trifluoromethanesulfonate;uranium?
[(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-(methylsulfonyloxymethyl)-3,4-dihydro-2H-furan-2-id-3-yl] trifluoromethanesulfonate;uranium has a molecular weight of 847.77 g/mol, XLogP of 3.34, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-(methylsulfonyloxymethyl)-3,4-dihydro-2H-furan-2-id-3-yl] trifluoromethanesulfonate;uranium is sourced from PubChem (CID 59509634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).