2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethanol

C22H38O3SSi — CID 10971628

About 2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethanol

2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethanol (PubChem CID 10971628) has the molecular formula C22H38O3SSi and a molecular weight of 410.70 g/mol. Its IUPAC name is 2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethanol.

Molecular Properties

• Compound Name: 2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethanol
• PubChem CID: 10971628
• Molecular Formula: C22H38O3SSi
• Molecular Weight: 410.70 g/mol
• Exact Mass: 410.23
• IUPAC Name: 2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethanol
• SMILES: C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H](CCO)C[C@H](Sc2ccccc2)O1
• InChI: InChI=1S/C22H38O3SSi/c1-17(16-24-27(5,6)22(2,3)4)20-14-18(12-13-23)15-21(25-20)26-19-10-8-7-9-11-19/h7-11,17-18,20-21,23H,12-16H2,1-6H3/t17-,18-,20-,21+/m1/s1
• InChIKey: ZOEFEWOBJILDKO-UKAVVXHISA-N
• XLogP: 5.94
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.70
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethanol?

The IUPAC name of 2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethanol (CID 10971628) is 2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethanol.

What is the SMILES notation for 2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethanol?

The canonical SMILES for 2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethanol is C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H](CCO)C[C@H](Sc2ccccc2)O1.

What is the InChIKey of 2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethanol?

The InChIKey is ZOEFEWOBJILDKO-UKAVVXHISA-N. The full InChI is InChI=1S/C22H38O3SSi/c1-17(16-24-27(5,6)22(2,3)4)20-14-18(12-13-23)15-21(25-20)26-19-10-8-7-9-11-19/h7-11,17-18,20-21,23H,12-16H2,1-6H3/t17-,18-,20-,21+/m1/s1.

What are the key properties of 2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethanol?

2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethanol has a molecular weight of 410.70 g/mol, XLogP of 5.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,4R,6S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-phenylsulfanyloxan-4-yl]ethanol is sourced from PubChem (CID 10971628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).