Benzyl L-Serine, p-Toluenesulfonate Salt, Monohydrate
Catalog: |
BB073450 |
Product Name: |
Benzyl L-Serine, p-Toluenesulfonate Salt, Monohydrate |
Synonyms: |
Benzyl L-Serine, p-Toluenesulfonate Salt, Monohydrate |
IUPAC Name: | benzyl (2S)-2-amino-3-hydroxypropanoate4-methylbenzenesulfonic acidhydrate |
Description: | Benzyl L-Serine, p-Toluenesulfonate Salt, Monohydrate is a compound useful in organic synthesis. |
Molecular Weight: | 385.43 |
Molecular Formula: | C17H23NO7S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)C(CO)N.O |
InChI: | InChI=1S/C10H13NO3.C7H8O3S.H2O/c11-9(6-12)10(13)14-7-8-4-2-1-3-5-81-6-2-4-7(5-3-6)11(8,9)10/h1-5,9,12H,6-7,11H22-5H,1H3,(H,8,9,10)1H2/t9-/m0../s1 |
InChI Key: | HIWVDEXAMLSUPZ-WWPIYYJJSA-N |
Solubility: | DMSO, Water |
Appearance: | Pale Yellow Solid |
Complexity: | 385 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 385.11952325 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 385.11952325 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 136Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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