(S)-(-)-Alpha-(Boc-amino)-gamma-butyrolactone - ≥98% , CAS No.40856-59-5

CAS: 40856-59-5 Cat. No.: S184397 Molecular Weight: 201.2 EC Number: 895-233-5 PubChem CID: 688318

GRADE & PURITY ≥98%

Synonyms

(S)-2-BOC-AMINO-GAMMA-BUTYROLACTONE | SCHEMBL4915249 | AS-10347 | (S)-N-Boc-3-aminotetrahydrofuran-2-one | tert-butyl (3S)-2-oxotetrahydrofuran-3-ylcarbamate | (S)-(-)-alpha-(N-t-BOC-Amino)-gamma-butyrolactone (Boc-L-Hsl) | EN300-2009034 | N-Boc-L-homoser

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(S)-2-BOC-AMINO-GAMMA-BUTYROLACTONE | SCHEMBL4915249 | AS-10347 | (S)-N-Boc-3-aminotetrahydrofuran-2-one | tert-butyl (3S)-2-oxotetrahydrofuran-3-ylcarbamate | (S)-(-)-alpha-(N-t-BOC-Amino)-gamma-butyrolactone (Boc-L-Hsl) | EN300-2009034 | N-Boc-L-homoser

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504759878
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759878
• Canonical Smiles: CC(C)(C)OC(=O)NC1CCOC1=O
• IUPAC Name: tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate
• InChIKey: IMWMFJMYEKHYKG-LURJTMIESA-N
• INCHI: 1S/C9H15NO4/c1-9(2,3)14-8(12)10-6-4-5-13-7(6)11/h6H,4-5H2,1-3H3,(H,10,12)/t6-/m0/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@H]1CCOC1=O
• PubChem CID: 688318
• Molecular Weight: 201.2

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 Alpha amino acid esters

• 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: Alpha amino acid esters
• Alternative Parents: Gamma butyrolactones Tetrahydrofurans Carbamate esters Organic carbonic acids and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Gamma butyrolactone - Tetrahydrofuran - Carbamic acid ester - Carboxylic acid ester - Lactone - Carbonic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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: 201.220 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 201.1 Da
• Monoisotopic Mass: 201.1 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 244.000
• 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: 1