[(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

C25H35O8S2SiU- — CID 59509745

About [(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

[(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 (PubChem CID 59509745) has the molecular formula C25H35O8S2SiU- and a molecular weight of 793.80 g/mol. Its IUPAC name is [(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.

Molecular Properties

• Compound Name: [(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
• PubChem CID: 59509745
• Molecular Formula: C25H35O8S2SiU-
• Molecular Weight: 793.80 g/mol
• Exact Mass: 793.21
• IUPAC Name: [(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
• SMILES: C[C@H]1[C@@H](OS(C)(=O)=O)[CH-]O[C@@]1(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)COS(C)(=O)=O.[U]
• InChI: InChI=1S/C25H35O8S2Si.U/c1-20-23(33-35(6,28)29)17-30-25(20,18-31-34(5,26)27)19-32-36(24(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22;/h7-17,20,23H,18-19H2,1-6H3;/q-1;/t20-,23-,25+;/m0./s1
• InChIKey: CNPDBCCPIGAPEP-SJOKEHIFSA-N
• XLogP: 2.45
• TPSA: 105.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	793.80
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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'}

Frequently Asked Questions

What is the IUPAC name of [(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?

The IUPAC name of [(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) is [(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.

What is the SMILES notation for [(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?

The canonical SMILES for [(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 is C[C@H]1[C@@H](OS(C)(=O)=O)[CH-]O[C@@]1(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)COS(C)(=O)=O.[U].

What is the InChIKey of [(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?

The InChIKey is CNPDBCCPIGAPEP-SJOKEHIFSA-N. The full InChI is InChI=1S/C25H35O8S2Si.U/c1-20-23(33-35(6,28)29)17-30-25(20,18-31-34(5,26)27)19-32-36(24(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22;/h7-17,20,23H,18-19H2,1-6H3;/q-1;/t20-,23-,25+;/m0./s1.

What are the key properties of [(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?

[(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 has a molecular weight of 793.80 g/mol, XLogP of 2.45, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(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 is sourced from PubChem (CID 59509745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).