N-Boc-L-serine Hydrate - ≥98% , CAS No.204191-40-2

CAS: 204191-40-2 Cat. No.: N588012 Molecular Weight: 223.23 PubChem CID: 51358356

GRADE & PURITY ≥98%

Synonyms

Boc-Ser-OH H2O | (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxypropanoic acid hydrate | Boc-Ser-OH. H2O | N-Boc-L-serine Hydrate | (S)-2-(tert-butoxycarbonylamino)-3-hydroxypropanoic acid hydrate | N-Boc-L-serineHydrate | Q-101713 | MFCD00150501 | (S)-2-

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

Boc-Ser-OH H2O | (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxypropanoic acid hydrate | Boc-Ser-OH. H2O | N-Boc-L-serine Hydrate | (S)-2-(tert-butoxycarbonylamino)-3-hydroxypropanoic acid hydrate | N-Boc-L-serineHydrate | Q-101713 | MFCD00150501 | (S)-2-

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)NC(CO)C(=O)O.O
• IUPAC Name: (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrate
• InChIKey: JLIWGTMHYWJUPM-JEDNCBNOSA-N
• INCHI: 1S/C8H15NO5.H2O/c1-8(2,3)14-7(13)9-5(4-10)6(11)12;/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12);1H2/t5-;/m0./s1
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CO)C(=O)O.O
• PubChem CID: 51358356
• Molecular Weight: 223.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Serine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Serine and derivatives
• Alternative Parents: Beta hydroxy acids and derivatives Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Serine or derivatives - Beta-hydroxy acid - Hydroxy acid - Carbamic acid ester - Carboxylic acid - Monocarboxylic acid or derivatives - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as serine and derivatives. These are compounds containing serine or a derivative thereof resulting from reaction of serine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 223.220 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 223.106 Da
• Monoisotopic Mass: 223.106 Da
• Topological Polar Surface Area: 96.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 220.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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