Dibenzyl L-Tartrate - ≥97%(GC) , CAS No.622-00-4

CAS: 622-00-4 Cat. No.: D134512 Molecular Weight: 330.34 Beilstein Registry Number: 3221730

GRADE & PURITY ≥97%(GC)

Synonyms

AMY41887 | Dibenzyl L-Tartrate | AKOS000277853 | (2R,3R)-Dibenzyl 2,3-dihydroxysuccinate | dibenzyl (2R,3R)-2,3-dihydroxybutanedioate | DTXSID60427315 | MFCD00674554 | A852373 | (+)-Dibenzyl L-tartrate | rel-(2R,3R)-Dibenzyl 2,3-dihydroxysuccinate | SCHEM

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

AMY41887 | Dibenzyl L-Tartrate | AKOS000277853 | (2R, 3R)-Dibenzyl 2, 3-dihydroxysuccinate | dibenzyl (2R, 3R)-2, 3-dihydroxybutanedioate | DTXSID60427315 | MFCD00674554 | A852373 | (+)-Dibenzyl L-tartrate | rel-(2R, 3R)-Dibenzyl 2, 3-dihydroxysuccinate | SCHEM

Specifications & Purity

≥97%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488196145
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196145
• Canonical Smiles: C1=CC=C(C=C1)COC(=O)C(C(C(=O)OCC2=CC=CC=C2)O)O
• IUPAC Name: dibenzyl (2R,3R)-2,3-dihydroxybutanedioate
• InChIKey: LCKIPSGLXMCAOF-HZPDHXFCSA-N
• INCHI: 1S/C18H18O6/c19-15(17(21)23-11-13-7-3-1-4-8-13)16(20)18(22)24-12-14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12H2/t15-,16-/m1/s1
• Isomeric SMILES: C1=CC=C(C=C1)COC(=O)[C@@H]([C@H](C(=O)OCC2=CC=CC=C2)O)O
• WGK Germany: 3
• Molecular Weight: 330.34
• Beilstein: 3221730
• Reaxy-Rn: 3221732
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3221732&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Fatty acid esters Beta hydroxy acids and derivatives Monosaccharides Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid esters 1,2-diols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Beta-hydroxy acid - Fatty acid ester - Fatty acyl - Monosaccharide - Hydroxy acid - Dicarboxylic acid or derivatives - Secondary alcohol - Carboxylic acid ester - 1,2-diol - Carboxylic acid derivative - Organooxygen compound - Alcohol - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• 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
• Specific Rotation[α]: -13° (C=1,Acetone)
• Melt Point(°C): 68 °C
• Molecular Weight: 330.300 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 330.11 Da
• Monoisotopic Mass: 330.11 Da
• Topological Polar Surface Area: 93.100 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 360.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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