[(2S,3R,4S,5R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-5-phenylmethoxy-3-[(1S)-1-phenyl-2-phenylsulfanylethoxy]oxan-4-yl] prop-2-enyl carbonate

C52H58O10SSi — CID 45273847

About [(2S,3R,4S,5R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-5-phenylmethoxy-3-[(1S)-1-phenyl-2-phenylsulfanylethoxy]oxan-4-yl] prop-2-enyl carbonate

[(2S,3R,4S,5R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-5-phenylmethoxy-3-[(1S)-1-phenyl-2-phenylsulfanylethoxy]oxan-4-yl] prop-2-enyl carbonate (PubChem CID 45273847) has the molecular formula C52H58O10SSi and a molecular weight of 903.18 g/mol. Its IUPAC name is [(2S,3R,4S,5R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-5-phenylmethoxy-3-[(1S)-1-phenyl-2-phenylsulfanylethoxy]oxan-4-yl] prop-2-enyl carbonate.

Molecular Properties

• Compound Name: [(2S,3R,4S,5R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-5-phenylmethoxy-3-[(1S)-1-phenyl-2-phenylsulfanylethoxy]oxan-4-yl] prop-2-enyl carbonate
• PubChem CID: 45273847
• Molecular Formula: C52H58O10SSi
• Molecular Weight: 903.18 g/mol
• Exact Mass: 902.35
• IUPAC Name: [(2S,3R,4S,5R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-5-phenylmethoxy-3-[(1S)-1-phenyl-2-phenylsulfanylethoxy]oxan-4-yl] prop-2-enyl carbonate
• SMILES: C=CCOC(=O)O[C@@H]1[C@@H](O[C@H](CSc2ccccc2)c2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](COC(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1OCc1ccccc1
• InChI: InChI=1S/C52H58O10SSi/c1-7-31-55-51(54)61-47-46(56-32-36-21-11-8-12-22-36)44(34-58-50(53)57-33-43-41-29-19-17-27-39(41)40-28-18-20-30-42(40)43)60-49(62-64(5,6)52(2,3)4)48(47)59-45(37-23-13-9-14-24-37)35-63-38-25-15-10-16-26-38/h7-30,43-49H,1,31-35H2,2-6H3/t44-,45-,46-,47+,48-,49+/m1/s1
• InChIKey: NNLSYMTUMQFHPT-PWBIKCALSA-N
• XLogP: 11.91
• TPSA: 107.98 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	903.18
LogP ≤ 5	11.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-5-phenylmethoxy-3-[(1S)-1-phenyl-2-phenylsulfanylethoxy]oxan-4-yl] prop-2-enyl carbonate?

The IUPAC name of [(2S,3R,4S,5R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-5-phenylmethoxy-3-[(1S)-1-phenyl-2-phenylsulfanylethoxy]oxan-4-yl] prop-2-enyl carbonate (CID 45273847) is [(2S,3R,4S,5R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-5-phenylmethoxy-3-[(1S)-1-phenyl-2-phenylsulfanylethoxy]oxan-4-yl] prop-2-enyl carbonate.

What is the SMILES notation for [(2S,3R,4S,5R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-5-phenylmethoxy-3-[(1S)-1-phenyl-2-phenylsulfanylethoxy]oxan-4-yl] prop-2-enyl carbonate?

The canonical SMILES for [(2S,3R,4S,5R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-5-phenylmethoxy-3-[(1S)-1-phenyl-2-phenylsulfanylethoxy]oxan-4-yl] prop-2-enyl carbonate is C=CCOC(=O)O[C@@H]1[C@@H](O[C@H](CSc2ccccc2)c2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)O[C@H](COC(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1OCc1ccccc1.

What is the InChIKey of [(2S,3R,4S,5R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-5-phenylmethoxy-3-[(1S)-1-phenyl-2-phenylsulfanylethoxy]oxan-4-yl] prop-2-enyl carbonate?

The InChIKey is NNLSYMTUMQFHPT-PWBIKCALSA-N. The full InChI is InChI=1S/C52H58O10SSi/c1-7-31-55-51(54)61-47-46(56-32-36-21-11-8-12-22-36)44(34-58-50(53)57-33-43-41-29-19-17-27-39(41)40-28-18-20-30-42(40)43)60-49(62-64(5,6)52(2,3)4)48(47)59-45(37-23-13-9-14-24-37)35-63-38-25-15-10-16-26-38/h7-30,43-49H,1,31-35H2,2-6H3/t44-,45-,46-,47+,48-,49+/m1/s1.

What are the key properties of [(2S,3R,4S,5R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-5-phenylmethoxy-3-[(1S)-1-phenyl-2-phenylsulfanylethoxy]oxan-4-yl] prop-2-enyl carbonate?

[(2S,3R,4S,5R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-5-phenylmethoxy-3-[(1S)-1-phenyl-2-phenylsulfanylethoxy]oxan-4-yl] prop-2-enyl carbonate has a molecular weight of 903.18 g/mol, XLogP of 11.91, 18 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R,4S,5R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-5-phenylmethoxy-3-[(1S)-1-phenyl-2-phenylsulfanylethoxy]oxan-4-yl] prop-2-enyl carbonate is sourced from PubChem (CID 45273847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).