(2R,4R,6S)-1-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]-8-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-6-chloro-4-methyl-3-methylideneoctan-2-ol;3-[(2S,5S)-5-[2-[(2S,4R,6R)-6-[[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propoxy-tert-butyl-diphenylsilane;tert-butyl acetate

C112H161ClO16S2Si2 — CID 160654504

About (2R,4R,6S)-1-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]-8-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-6-chloro-4-methyl-3-methylideneoctan-2-ol;3-[(2S,5S)-5-[2-[(2S,4R,6R)-6-[[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propoxy-tert-butyl-diphenylsilane;tert-butyl acetate

(2R,4R,6S)-1-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]-8-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-6-chloro-4-methyl-3-methylideneoctan-2-ol;3-[(2S,5S)-5-[2-[(2S,4R,6R)-6-[[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propoxy-tert-butyl-diphenylsilane;tert-butyl acetate (PubChem CID 160654504) has the molecular formula C112H161ClO16S2Si2 and a molecular weight of 1919.26 g/mol. Its IUPAC name is (2R,4R,6S)-1-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]-8-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-6-chloro-4-methyl-3-methylideneoctan-2-ol;3-[(2S,5S)-5-[2-[(2S,4R,6R)-6-[[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propoxy-tert-butyl-diphenylsilane;tert-butyl acetate.

Molecular Properties

• Compound Name: (2R,4R,6S)-1-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]-8-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-6-chloro-4-methyl-3-methylideneoctan-2-ol;3-[(2S,5S)-5-[2-[(2S,4R,6R)-6-[[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propoxy-tert-butyl-diphenylsilane;tert-butyl acetate
• PubChem CID: 160654504
• Molecular Formula: C112H161ClO16S2Si2
• Molecular Weight: 1919.26 g/mol
• Exact Mass: 1917.05
• IUPAC Name: (2R,4R,6S)-1-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]-8-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-6-chloro-4-methyl-3-methylideneoctan-2-ol;3-[(2S,5S)-5-[2-[(2S,4R,6R)-6-[[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propoxy-tert-butyl-diphenylsilane;tert-butyl acetate
• SMILES: C=C([C@H](C)C[C@@H](Cl)CC[C@@H]1O[C@@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=C)[C@H](O)C[C@@H]1O[C@H](C[C@H]2CCC(C)(C)O2)[C@H](C)[C@H]1CS(=O)(=O)c1ccccc1.C=C1C[C@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1CC[C@H]1C[C@@H](C)C(=C)[C@@H](C[C@@H]2O[C@H](C[C@H]3CCC(C)(C)O3)[C@H](C)[C@H]2CS(=O)(=O)c2ccccc2)O1.CC(=O)OC(C)(C)C
• InChI: InChI=1S/C53H75ClO7SSi.C53H74O7SSi.C6H12O2/c1-37(39(3)48(55)35-51-47(36-62(56,57)44-21-13-10-14-22-44)40(4)50(60-51)34-43-29-30-53(8,9)61-43)32-41(54)27-28-49-38(2)33-42(59-49)20-19-31-58-63(52(5,6)7,45-23-15-11-16-24-45)46-25-17-12-18-26-46;1-37-32-42(27-28-48-38(2)33-41(57-48)20-19-31-56-62(52(5,6)7,45-23-15-11-16-24-45)46-25-17-12-18-26-46)58-50(39(37)3)35-51-47(36-61(54,55)44-21-13-10-14-22-44)40(4)49(59-51)34-43-29-30-53(8,9)60-43;1-5(7)8-6(2,3)4/h10-18,21-26,37,40-43,47-51,55H,2-3,19-20,27-36H2,1,4-9H3;10-18,21-26,37,40-43,47-51H,2-3,19-20,27-36H2,1,4-9H3;1-4H3/t37-,40-,41+,42+,43-,47-,48-,49+,50-,51+;37-,40-,41+,42+,43-,47-,48+,49-,50-,51+;/m11./s1
• InChIKey: RKWGKBYCBLWPKM-CSXCGCHPSA-N
• XLogP: 22.39
• TPSA: 197.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 38
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1919.26
LogP ≤ 5	22.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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 (2R,4R,6S)-1-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]-8-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-6-chloro-4-methyl-3-methylideneoctan-2-ol;3-[(2S,5S)-5-[2-[(2S,4R,6R)-6-[[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propoxy-tert-butyl-diphenylsilane;tert-butyl acetate?

The IUPAC name of (2R,4R,6S)-1-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]-8-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-6-chloro-4-methyl-3-methylideneoctan-2-ol;3-[(2S,5S)-5-[2-[(2S,4R,6R)-6-[[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propoxy-tert-butyl-diphenylsilane;tert-butyl acetate (CID 160654504) is (2R,4R,6S)-1-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]-8-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-6-chloro-4-methyl-3-methylideneoctan-2-ol;3-[(2S,5S)-5-[2-[(2S,4R,6R)-6-[[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propoxy-tert-butyl-diphenylsilane;tert-butyl acetate.

What is the SMILES notation for (2R,4R,6S)-1-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]-8-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-6-chloro-4-methyl-3-methylideneoctan-2-ol;3-[(2S,5S)-5-[2-[(2S,4R,6R)-6-[[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propoxy-tert-butyl-diphenylsilane;tert-butyl acetate?

The canonical SMILES for (2R,4R,6S)-1-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]-8-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-6-chloro-4-methyl-3-methylideneoctan-2-ol;3-[(2S,5S)-5-[2-[(2S,4R,6R)-6-[[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propoxy-tert-butyl-diphenylsilane;tert-butyl acetate is C=C([C@H](C)C[C@@H](Cl)CC[C@@H]1O[C@@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=C)[C@H](O)C[C@@H]1O[C@H](C[C@H]2CCC(C)(C)O2)[C@H](C)[C@H]1CS(=O)(=O)c1ccccc1.C=C1C[C@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1CC[C@H]1C[C@@H](C)C(=C)[C@@H](C[C@@H]2O[C@H](C[C@H]3CCC(C)(C)O3)[C@H](C)[C@H]2CS(=O)(=O)c2ccccc2)O1.CC(=O)OC(C)(C)C.

What is the InChIKey of (2R,4R,6S)-1-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]-8-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-6-chloro-4-methyl-3-methylideneoctan-2-ol;3-[(2S,5S)-5-[2-[(2S,4R,6R)-6-[[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propoxy-tert-butyl-diphenylsilane;tert-butyl acetate?

The InChIKey is RKWGKBYCBLWPKM-CSXCGCHPSA-N. The full InChI is InChI=1S/C53H75ClO7SSi.C53H74O7SSi.C6H12O2/c1-37(39(3)48(55)35-51-47(36-62(56,57)44-21-13-10-14-22-44)40(4)50(60-51)34-43-29-30-53(8,9)61-43)32-41(54)27-28-49-38(2)33-42(59-49)20-19-31-58-63(52(5,6)7,45-23-15-11-16-24-45)46-25-17-12-18-26-46;1-37-32-42(27-28-48-38(2)33-41(57-48)20-19-31-56-62(52(5,6)7,45-23-15-11-16-24-45)46-25-17-12-18-26-46)58-50(39(37)3)35-51-47(36-61(54,55)44-21-13-10-14-22-44)40(4)49(59-51)34-43-29-30-53(8,9)60-43;1-5(7)8-6(2,3)4/h10-18,21-26,37,40-43,47-51,55H,2-3,19-20,27-36H2,1,4-9H3;10-18,21-26,37,40-43,47-51H,2-3,19-20,27-36H2,1,4-9H3;1-4H3/t37-,40-,41+,42+,43-,47-,48-,49+,50-,51+;37-,40-,41+,42+,43-,47-,48+,49-,50-,51+;/m11./s1.

What are the key properties of (2R,4R,6S)-1-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]-8-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-6-chloro-4-methyl-3-methylideneoctan-2-ol;3-[(2S,5S)-5-[2-[(2S,4R,6R)-6-[[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propoxy-tert-butyl-diphenylsilane;tert-butyl acetate?

(2R,4R,6S)-1-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]-8-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-6-chloro-4-methyl-3-methylideneoctan-2-ol;3-[(2S,5S)-5-[2-[(2S,4R,6R)-6-[[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propoxy-tert-butyl-diphenylsilane;tert-butyl acetate has a molecular weight of 1919.26 g/mol, XLogP of 22.39, 38 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R,6S)-1-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]-8-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-6-chloro-4-methyl-3-methylideneoctan-2-ol;3-[(2S,5S)-5-[2-[(2S,4R,6R)-6-[[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-5-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-methyloxolan-2-yl]methyl]-4-methyl-5-methylideneoxan-2-yl]ethyl]-4-methylideneoxolan-2-yl]propoxy-tert-butyl-diphenylsilane;tert-butyl acetate is sourced from PubChem (CID 160654504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).