(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol

C₁₃H₂₈O₆Si — CID 14565209

About (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol

(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol (PubChem CID 14565209) has the molecular formula C₁₃H₂₈O₆Si and a molecular weight of 308.45 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
• PubChem CID: 14565209
• Molecular Formula: C₁₃H₂₈O₆Si
• Molecular Weight: 308.45 g/mol
• Exact Mass: 308.17
• IUPAC Name: (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
• SMILES: CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C13H28O6Si/c1-13(2,3)20(5,6)18-7-8-9(14)10(15)11(16)12(17-4)19-8/h8-12,14-16H,7H2,1-6H3/t8-,9-,10+,11-,12+/m1/s1
• InChIKey: PJPAPOCZOTYLIT-ZIQFBCGOSA-N
• XLogP: 0.46
• TPSA: 88.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.45
LogP ≤ 5	0.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol?

The IUPAC name of (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol (CID 14565209) is (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol.

What is the SMILES notation for (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol?

The canonical SMILES for (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol is CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O.

What is the InChIKey of (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol?

The InChIKey is PJPAPOCZOTYLIT-ZIQFBCGOSA-N. The full InChI is InChI=1S/C13H28O6Si/c1-13(2,3)20(5,6)18-7-8-9(14)10(15)11(16)12(17-4)19-8/h8-12,14-16H,7H2,1-6H3/t8-,9-,10+,11-,12+/m1/s1.

What are the key properties of (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol?

(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol has a molecular weight of 308.45 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 14565209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 14565209 — identifiers, structure, computed properties (public domain)

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