Benzyl (2S,3S,5S)-2-Hexyl-3-benzyloxy-5-(triisopropylsilyloxy)hexadecanoate
Catalog: |
BB073662 |
Product Name: |
Benzyl (2S,3S,5S)-2-Hexyl-3-benzyloxy-5-(triisopropylsilyloxy)hexadecanoate |
Synonyms: |
BENZYL (2S,3S,5S)-2-HEXYL-3-BENZYLOXY-5-(TRIISOPROPYLSILYLOXY)HEXADECANOATE |
IUPAC Name: | benzyl (2S,3S,5S)-2-hexyl-3-phenylmethoxy-5-tri(propan-2-yl)silyloxyhexadecanoate |
Description: | Benzyl (2S,3S,5S)-2-Hexyl-3-benzyloxy-5-(triisopropylsilyloxy)hexadecanoate is a compound useful in organic synthesis. |
Molecular Weight: | 709.17 |
Molecular Formula: | C45H76O4Si |
Canonical SMILES: | CCCCCCCCCCCC(CC(C(CCCCCC)C(=O)OCC1=CC=CC=C1)OCC2=CC=CC=C2)O[Si](C(C)C)(C(C)C)C(C)C |
InChI: | InChI=1S/C45H76O4Si/c1-9-11-13-15-16-17-18-19-26-32-42(49-50(37(3)4,38(5)6)39(7)8)34-44(47-35-40-28-22-20-23-29-40)43(33-27-14-12-10-2)45(46)48-36-41-30-24-21-25-31-41/h20-25,28-31,37-39,42-44H,9-19,26-27,32-36H2,1-8H3/t42-,43-,44-/m0/s1 |
InChI Key: | MLKVZMZGRUDTON-KJFLPAQCSA-N |
Appearance: | Colourless Oil |
Complexity: | 794 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 708.55128744 |
Formal Charge: | 0 |
Heavy Atom Count: | 50 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 708.55128744 |
Rotatable Bond Count: | 30 |
Topological Polar Surface Area: | 44.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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