H-D-Glu(OBzl)-OBzl p-tosylate - ≥98% , CAS No.19898-41-0

CAS: 19898-41-0 Cat. No.: H182520 Molecular Weight: 499.58

GRADE & PURITY ≥98%

Synonyms

DTXSID70648978 | H-D-Glu(OBzl)-OBzl. Tos | H-D-Glu(Bzl)-OBzl*Tos | C26H29NO7S | dibenzyl (2R)-2-aminopentanedioate;4-methylbenzenesulfonic acid | H-D-Glu(Obzl)-Obzl tos-OH | H-D-Glu(Obzl)-Obzl | H-D-Glu(OBzl)-OBzl.Tos-OH | H-D-Glu(OBzl)-OBzl Tos | SCHEMBL

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

DTXSID70648978 | H-D-Glu(OBzl)-OBzl. Tos | H-D-Glu(Bzl)-OBzl*Tos | C26H29NO7S | dibenzyl (2R)-2-aminopentanedioate;4-methylbenzenesulfonic acid | H-D-Glu(Obzl)-Obzl tos-OH | H-D-Glu(Obzl)-Obzl | H-D-Glu(OBzl)-OBzl.Tos-OH | H-D-Glu(OBzl)-OBzl Tos | SCHEMBL

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

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: CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CCC(C(=O)OCC2=CC=CC=C2)N
• IUPAC Name: dibenzyl (2R)-2-aminopentanedioate;4-methylbenzenesulfonic acid
• InChIKey: HVZUAIVKRYGQRM-UNTBIKODSA-N
• INCHI: 1S/C19H21NO4.C7H8O3S/c20-17(19(22)24-14-16-9-5-2-6-10-16)11-12-18(21)23-13-15-7-3-1-4-8-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,17H,11-14,20H2;2-5H,1H3,(H,8,9,10)/t17-;/m1./s1
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CC[C@H](C(=O)OCC2=CC=CC=C2)N
• Molecular Weight: 499.58
• Reaxy-Rn: 6564116
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6564116&ln=

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 Glutamic acid 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: Glutamic acid and derivatives
• Alternative Parents: Alpha amino acid esters p-Methylbenzenesulfonates Tosyl compounds Benzyloxycarbonyls Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Fatty acid esters Dicarboxylic acids and derivatives Sulfonyls Organosulfonic acids Carboxylic acid esters Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Glutamic acid or derivatives - Alpha-amino acid ester - P-methylbenzenesulfonate - Benzyloxycarbonyl - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Fatty acid ester - Toluene - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Carboxylic acid ester - Organic oxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Amine - Organooxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Organosulfur compound - Primary amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid 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

• Sensitivity: Moisture sensitive
• Molecular Weight: 499.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 499.166 Da
• Monoisotopic Mass: 499.166 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 593.000
• 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

XLogP3