GRADE & PURITY ≥98%

Synonyms

EN300-761700 | Boc-D-beta-homoleucine | (R)-3-tert-Butoxycarbonylamino-5-methyl-hexanoic acid | WFA39818 | DS-4624 | F15145 | DTXSID90427388 | (R)-3-(Boc-amino)-5-methyl-hexanoic acid | (R)-3-((tert-Butoxycarbonyl)amino)-5-methylhexanoicacid | (R)-3-(tert

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

EN300-761700 | Boc-D-beta-homoleucine | (R)-3-tert-Butoxycarbonylamino-5-methyl-hexanoic acid | WFA39818 | DS-4624 | F15145 | DTXSID90427388 | (R)-3-(Boc-amino)-5-methyl-hexanoic acid | (R)-3-((tert-Butoxycarbonyl)amino)-5-methylhexanoicacid | (R)-3-(tert

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504764658
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764658
• Canonical Smiles: CC(C)CC(CC(=O)O)NC(=O)OC(C)(C)C
• IUPAC Name: (3R)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
• InChIKey: XRVAMBSTOWHUMM-SECBINFHSA-N
• INCHI: 1S/C12H23NO4/c1-8(2)6-9(7-10(14)15)13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)(H,14,15)/t9-/m1/s1
• Isomeric SMILES: CC(C)C[C@H](CC(=O)O)NC(=O)OC(C)(C)C
• Molecular Weight: 245.32
• Reaxy-Rn: 19498044
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19498044&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Branched fatty acids Amino fatty acids Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Branched fatty acid - Amino fatty acid - Carbamic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• 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: 245.320 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 245.163 Da
• Monoisotopic Mass: 245.163 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 268.000
• 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