2-trimethylsilylethyl (4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyoxazinane-2-carboxylate

C16H35NO6Si2 — CID 15747789

IUPAC2-trimethylsilylethyl (4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyoxazinane-2-carboxylate
SMILESCC(C)(C)[Si](C)(C)O[C@H]1ON(C(=O)OCC[Si](C)(C)C)C[C@H](O)[C@@H]1O
InChIInChI=1S/C16H35NO6Si2/c1-16(2,3)25(7,8)23-14-13(19)12(18)11-17(22-14)15(20)21-9-10-24(4,5)6/h12-14,18-19H,9-11H2,1-8H3/t12-,13-,14+/m0/s1
InChIKeyORILOLQLQLAIEF-MELADBBJSA-N
MW393.63 g/mol
LogP2.78
Rot. Bonds5

About 2-trimethylsilylethyl (4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyoxazinane-2-carboxylate

2-trimethylsilylethyl (4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyoxazinane-2-carboxylate (PubChem CID 15747789) has the molecular formula C16H35NO6Si2 and a molecular weight of 393.63 g/mol. Its IUPAC name is 2-trimethylsilylethyl (4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyoxazinane-2-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl (4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyoxazinane-2-carboxylate
PubChem CID15747789
Molecular FormulaC16H35NO6Si2
Molecular Weight393.63 g/mol
Exact Mass393.20
IUPAC Name2-trimethylsilylethyl (4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyoxazinane-2-carboxylate
SMILESCC(C)(C)[Si](C)(C)O[C@H]1ON(C(=O)OCC[Si](C)(C)C)C[C@H](O)[C@@H]1O
InChIInChI=1S/C16H35NO6Si2/c1-16(2,3)25(7,8)23-14-13(19)12(18)11-17(22-14)15(20)21-9-10-24(4,5)6/h12-14,18-19H,9-11H2,1-8H3/t12-,13-,14+/m0/s1
InChIKeyORILOLQLQLAIEF-MELADBBJSA-N
XLogP2.78
TPSA88.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.63
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyoxazinane-2-carboxylate?
The IUPAC name of 2-trimethylsilylethyl (4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyoxazinane-2-carboxylate (CID 15747789) is 2-trimethylsilylethyl (4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyoxazinane-2-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl (4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyoxazinane-2-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl (4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyoxazinane-2-carboxylate is CC(C)(C)[Si](C)(C)O[C@H]1ON(C(=O)OCC[Si](C)(C)C)C[C@H](O)[C@@H]1O.
What is the InChIKey of 2-trimethylsilylethyl (4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyoxazinane-2-carboxylate?
The InChIKey is ORILOLQLQLAIEF-MELADBBJSA-N. The full InChI is InChI=1S/C16H35NO6Si2/c1-16(2,3)25(7,8)23-14-13(19)12(18)11-17(22-14)15(20)21-9-10-24(4,5)6/h12-14,18-19H,9-11H2,1-8H3/t12-,13-,14+/m0/s1.
What are the key properties of 2-trimethylsilylethyl (4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyoxazinane-2-carboxylate?
2-trimethylsilylethyl (4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyoxazinane-2-carboxylate has a molecular weight of 393.63 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyoxazinane-2-carboxylate is sourced from PubChem (CID 15747789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).