Fmoc-Ngamma-xanthyl-D-asparagine - ≥98% , CAS No.353236-19-8

CAS: 353236-19-8 Cat. No.: F338299 Molecular Weight: 534.56 PubChem CID: 56777054

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504771449
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771449
• Canonical Smiles: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)NC4C5=CC=CC=C5OC6=CC=CC=C46)C(=O)O
• IUPAC Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(9H-xanthen-9-ylamino)butanoic acid
• InChIKey: BHSJDYJRHPNVAM-AREMUKBSSA-N
• INCHI: 1S/C32H26N2O6/c35-29(34-30-23-13-5-7-15-27(23)40-28-16-8-6-14-24(28)30)17-26(31(36)37)33-32(38)39-18-25-21-11-3-1-9-19(21)20-10-2-4-12-22(20)25/h1-16,25-26,30H,17-18H2,(H,33,38)(H,34,35)(H,36,37)/t26-/m1/s1
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC(=O)NC4C5=CC=CC=C5OC6=CC=CC=C46)C(=O)O
• PubChem CID: 56777054
• Molecular Weight: 534.56

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: Asparagine and derivatives Fluorenes Diarylethers N-acyl amines Carbamate esters Secondary carboxylic acid amides Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Asparagine or derivatives - Xanthene - Fluorene - Diaryl ether - Alpha-amino acid or derivatives - Fatty amide - N-acyl-amine - Benzenoid - Fatty acyl - Carbamic acid ester - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
• 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: 534.600 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 534.179 Da
• Monoisotopic Mass: 534.179 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 883.000
• 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