Basic information
- Standard SMILES
CCOC(=O)C(CO)(CCCCB1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C- InChIKey
JTGBVEXIADPSPH-UHFFFAOYSA-N- Molecular formula
- C20H38BNO7
- Average molar mass
- 415.3 g/mol
- Monoisotopic mass
- 415.2741327
Names & identifiers
- Preferred name
- Ethyl 2-(tert-butoxycarbonylamino)-2-(hydroxymethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexanoate
- IUPAC
- ethyl 2-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexanoate
Names & synonyms
SCHEMBL894997JTGBVEXIADPSPH-UHFFFAOYSA-Nethyl 2-(tert-butoxycarbonylamino)-2-(hydroxymethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexanoate
Database identifiers
- PubChem CID
- 66833197
Properties
Computed structural properties
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 558
Related reactions
2 records
Compound notes
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