L-Serine benzyl ester benzenesulfonate (salt)
Basic information
- CAS
3695-68-9- Standard SMILES
N[C@@H](CO)C(=O)OCc1ccccc1.O=S(=O)(O)c1ccccc1- InChIKey
AJKFQGHWMCPNTI-FVGYRXGTSA-N- Molecular formula
- C16H19NO6S
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.0933085
Names & identifiers
- Preferred name
- L-Serine benzyl ester benzenesulfonate (salt)
- IUPAC
- benzenesulfonic acid;benzyl (2S)-2-amino-3-hydroxypropanoate
- English name
- L-Serine benzyl ester benzenesulfonate (
- Molecular formula
- C10H13NO3.C6H6O3S
- Molecular weight
- 353.393
Names & synonyms
3695-68-9L-Serine benzyl ester benzenesulfonate (salt)Benzenesulfonic acid;benzyl (2S)-2-amino-3-hydroxypropanoateBenzyl L-serinate benzenesulfonateSCHEMBL12614965DTXSID10526105HY-W142088DA-75119CS-0201872Benzenesulfonic acid--benzyl L-serinate (1/1)L-Serine benzyl ester benzenesulfonate (salt), >=98.0% (HPLC)AJKFQGHWMCPNTI-FVGYRXGTSA-N
Show more names
L-Serine benzyl ester benzenesulfonate (L-Serine benzyl ester benzenesulfonate (salt) >=98.0% (HPLC)
Database identifiers
- CAS
3695-68-9- PubChem CID
- 13191981
- DTXSID
DTXSID10526105
Properties
Computed structural properties
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- form
- powder or flakes
- color
- colorless to white
- Major Application
- peptide synthesis
- InChI
- 1S/C10H13NO3.C6H6O3S/c11-9(6-12)10(13)14-7-8-4-2-1-3-5-8;7-10(8,9)6-4-2-1-3-5-6/h1-5,9,12H,6-7,11H2;1-5H,(H,7,8,9)/t9-;/m0./s1
- InChIKey
- AJKFQGHWMCPNTI-FVGYRXGTSA-N
- SMILES
- OS(=O)(=O)c1ccccc1.N[C@@H](CO)C(=O)OCc2ccccc2
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- F
- 10 · 10-21
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10-21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Usespeptide synthesis
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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