[(2S,3R)-3-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane

C37H52O6SSi2 — CID 11735083

About [(2S,3R)-3-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane

[(2S,3R)-3-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 11735083) has the molecular formula C37H52O6SSi2 and a molecular weight of 681.06 g/mol. Its IUPAC name is [(2S,3R)-3-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

• Compound Name: [(2S,3R)-3-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
• PubChem CID: 11735083
• Molecular Formula: C37H52O6SSi2
• Molecular Weight: 681.06 g/mol
• Exact Mass: 680.30
• IUPAC Name: [(2S,3R)-3-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
• SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1C[C@]1(S(=O)(=O)c2ccccc2)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C37H52O6SSi2/c1-35(2,3)45(7,8)43-32-25-18-26-40-33(32)27-37(44(38,39)29-19-12-9-13-20-29)34(42-37)28-41-46(36(4,5)6,30-21-14-10-15-22-30)31-23-16-11-17-24-31/h9-17,19-24,32-34H,18,25-28H2,1-8H3/t32-,33+,34-,37+/m0/s1
• InChIKey: ZCWGUWXZJZULHH-VABLPFGYSA-N
• XLogP: 7.09
• TPSA: 74.36 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	681.06
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane?

The IUPAC name of [(2S,3R)-3-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane (CID 11735083) is [(2S,3R)-3-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane.

What is the SMILES notation for [(2S,3R)-3-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane?

The canonical SMILES for [(2S,3R)-3-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1C[C@]1(S(=O)(=O)c2ccccc2)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of [(2S,3R)-3-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane?

The InChIKey is ZCWGUWXZJZULHH-VABLPFGYSA-N. The full InChI is InChI=1S/C37H52O6SSi2/c1-35(2,3)45(7,8)43-32-25-18-26-40-33(32)27-37(44(38,39)29-19-12-9-13-20-29)34(42-37)28-41-46(36(4,5)6,30-21-14-10-15-22-30)31-23-16-11-17-24-31/h9-17,19-24,32-34H,18,25-28H2,1-8H3/t32-,33+,34-,37+/m0/s1.

What are the key properties of [(2S,3R)-3-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane?

[(2S,3R)-3-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 681.06 g/mol, XLogP of 7.09, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R)-3-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 11735083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).