2-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methyloxolan-2-yl]acetaldehyde;[(2S)-1-[(2R,3R,4R,5S)-4-(benzenesulfonylmethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-tert-butyl-dimethylsilane;methane

C60H110O11S2Si4 — CID 158453874

About 2-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methyloxolan-2-yl]acetaldehyde;[(2S)-1-[(2R,3R,4R,5S)-4-(benzenesulfonylmethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-tert-butyl-dimethylsilane;methane

2-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methyloxolan-2-yl]acetaldehyde;[(2S)-1-[(2R,3R,4R,5S)-4-(benzenesulfonylmethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-tert-butyl-dimethylsilane;methane (PubChem CID 158453874) has the molecular formula C60H110O11S2Si4 and a molecular weight of 1184.01 g/mol. Its IUPAC name is 2-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methyloxolan-2-yl]acetaldehyde;[(2S)-1-[(2R,3R,4R,5S)-4-(benzenesulfonylmethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-tert-butyl-dimethylsilane;methane.

Molecular Properties

• Compound Name: 2-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methyloxolan-2-yl]acetaldehyde;[(2S)-1-[(2R,3R,4R,5S)-4-(benzenesulfonylmethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-tert-butyl-dimethylsilane;methane
• PubChem CID: 158453874
• Molecular Formula: C60H110O11S2Si4
• Molecular Weight: 1184.01 g/mol
• Exact Mass: 1182.66
• IUPAC Name: 2-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methyloxolan-2-yl]acetaldehyde;[(2S)-1-[(2R,3R,4R,5S)-4-(benzenesulfonylmethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-tert-butyl-dimethylsilane;methane
• SMILES: C.C=CC[C@@H]1O[C@H](C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]1CS(=O)(=O)c1ccccc1.C[C@@H]1[C@@H](CS(=O)(=O)c2ccccc2)[C@H](CC=O)O[C@@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C30H54O5SSi2.C29H52O6SSi2.CH4/c1-13-17-27-26(22-36(31,32)25-18-15-14-16-19-25)23(2)28(34-27)20-24(35-38(11,12)30(6,7)8)21-33-37(9,10)29(3,4)5;1-22-25(21-36(31,32)24-15-13-12-14-16-24)26(17-18-30)34-27(22)19-23(35-38(10,11)29(5,6)7)20-33-37(8,9)28(2,3)4;/h13-16,18-19,23-24,26-28H,1,17,20-22H2,2-12H3;12-16,18,22-23,25-27H,17,19-21H2,1-11H3;1H4/t23-,24+,26-,27+,28-;22-,23+,25-,26+,27-;/m11./s1
• InChIKey: HEIGRAOEPFLDJJ-AWHLDLKRSA-N
• XLogP: 15.37
• TPSA: 140.73 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 24
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1184.01
LogP ≤ 5	15.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methyloxolan-2-yl]acetaldehyde;[(2S)-1-[(2R,3R,4R,5S)-4-(benzenesulfonylmethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-tert-butyl-dimethylsilane;methane?

The IUPAC name of 2-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methyloxolan-2-yl]acetaldehyde;[(2S)-1-[(2R,3R,4R,5S)-4-(benzenesulfonylmethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-tert-butyl-dimethylsilane;methane (CID 158453874) is 2-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methyloxolan-2-yl]acetaldehyde;[(2S)-1-[(2R,3R,4R,5S)-4-(benzenesulfonylmethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-tert-butyl-dimethylsilane;methane.

What is the SMILES notation for 2-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methyloxolan-2-yl]acetaldehyde;[(2S)-1-[(2R,3R,4R,5S)-4-(benzenesulfonylmethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-tert-butyl-dimethylsilane;methane?

The canonical SMILES for 2-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methyloxolan-2-yl]acetaldehyde;[(2S)-1-[(2R,3R,4R,5S)-4-(benzenesulfonylmethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-tert-butyl-dimethylsilane;methane is C.C=CC[C@@H]1O[C@H](C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]1CS(=O)(=O)c1ccccc1.C[C@@H]1[C@@H](CS(=O)(=O)c2ccccc2)[C@H](CC=O)O[C@@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 2-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methyloxolan-2-yl]acetaldehyde;[(2S)-1-[(2R,3R,4R,5S)-4-(benzenesulfonylmethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-tert-butyl-dimethylsilane;methane?

The InChIKey is HEIGRAOEPFLDJJ-AWHLDLKRSA-N. The full InChI is InChI=1S/C30H54O5SSi2.C29H52O6SSi2.CH4/c1-13-17-27-26(22-36(31,32)25-18-15-14-16-19-25)23(2)28(34-27)20-24(35-38(11,12)30(6,7)8)21-33-37(9,10)29(3,4)5;1-22-25(21-36(31,32)24-15-13-12-14-16-24)26(17-18-30)34-27(22)19-23(35-38(10,11)29(5,6)7)20-33-37(8,9)28(2,3)4;/h13-16,18-19,23-24,26-28H,1,17,20-22H2,2-12H3;12-16,18,22-23,25-27H,17,19-21H2,1-11H3;1H4/t23-,24+,26-,27+,28-;22-,23+,25-,26+,27-;/m11./s1.

What are the key properties of 2-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methyloxolan-2-yl]acetaldehyde;[(2S)-1-[(2R,3R,4R,5S)-4-(benzenesulfonylmethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-tert-butyl-dimethylsilane;methane?

2-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methyloxolan-2-yl]acetaldehyde;[(2S)-1-[(2R,3R,4R,5S)-4-(benzenesulfonylmethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-tert-butyl-dimethylsilane;methane has a molecular weight of 1184.01 g/mol, XLogP of 15.37, 24 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methyloxolan-2-yl]acetaldehyde;[(2S)-1-[(2R,3R,4R,5S)-4-(benzenesulfonylmethyl)-3-methyl-5-prop-2-enyloxolan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-tert-butyl-dimethylsilane;methane is sourced from PubChem (CID 158453874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).