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Boc-Glu(OBzl)-OH - 97%, high purity , CAS No.13574-13-5
Basic Description
Synonyms | 5-Benzyl N-((1,1-dimethylethoxy)carbonyl)-L-glutamate | (2S)-5-(benzyloxy)-2-[(tert-butoxycarbonyl)amino]-5-oxopentanoic acid | (S)-benzyl 4-t-butoxycarbonylamino-4-carboxybutanoate | EN300-261913 | (2S)-5-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}-5-ox |
Specifications & Purity | ≥97% |
Storage Temp | Store at 2-8°C |
Shipped In | Wet ice |
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Names and Identifiers
Pubchem Sid | 504755689 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755689 |
IUPAC Name | (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid |
INCHI | InChI=1S/C17H23NO6/c1-17(2,3)24-16(22)18-13(15(20)21)9-10-14(19)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,21)/t13-/m0/s1 |
InChi Key | AJDUMMXHVCMISJ-ZDUSSCGKSA-N |
Canonical SMILES | CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)O |
Isomeric SMILES | CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)O |
WGK Germany | 3 |
PubChem CID | 83589 |
Molecular Weight | 337.37 |
Beilstein | 2226572 |
Reaxy-Rn | 2226571 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Specific Rotation[α] | -16.5 ° (C=2, DMF) |
Melt Point(°C) | 66.0 - 71.0 °C |
Molecular Weight | 337.400 g/mol |
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XLogP3 | 2.200 |
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Hydrogen Bond Donor Count | 2 |
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Hydrogen Bond Acceptor Count | 6 |
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Rotatable Bond Count | 10 |
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Exact Mass | 337.153 Da |
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Monoisotopic Mass | 337.153 Da |
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Topological Polar Surface Area | 102.000 Ų |
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Heavy Atom Count | 24 |
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Formal Charge | 0 |
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Complexity | 437.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 1 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
Pictogram(s) | GHS07 |
Signal | Warning |
Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation |
Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell. |
WGK Germany | 3 |
Reaxy-Rn | 2226571 |
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