N-Fmoc-O-(2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-α-D-galactopyranosyl)-L-serine - ≥98% , CAS No.120173-57-1

CAS: 120173-57-1 Cat. No.: N302580 Molecular Weight: 656.63 EC Number: 692-612-5 PubChem CID: 10908465

GRADE & PURITY ≥98%

Synonyms

AKOS025294159 | Fmoc-Ser(O- | L-Serine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy- | (2S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)prop

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AKOS025294159 | Fmoc-Ser(O- | L-Serine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-[3, 4, 6-tri-O-acetyl-2-(acetylamino)-2-deoxy- | (2S)-3-[(2S, 3R, 4R, 5R, 6R)-3-acetamido-4, 5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)prop

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: 504765711
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765711
• Canonical Smiles: CC(=O)NC1C(C(C(OC1OCC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)COC(=O)C)OC(=O)C)OC(=O)C
• IUPAC Name: (2S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
• InChIKey: ORICVOOXZDVFIP-VOZJJELXSA-N
• INCHI: 1S/C32H36N2O13/c1-16(35)33-27-29(46-19(4)38)28(45-18(3)37)26(15-42-17(2)36)47-31(27)43-14-25(30(39)40)34-32(41)44-13-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,24-29,31H,13-15H2,1-4H3,(H,33,35)(H,34,41)(H,39,40)/t25-,26+,27+,28-,29+,31-/m0/s1
• Isomeric SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)COC(=O)C)OC(=O)C)OC(=O)C
• PubChem CID: 10908465
• Molecular Weight: 656.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Aminosaccharides
          • Level6 N-acyl-alpha-hexosamines

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides
• Direct Parent: N-acyl-alpha-hexosamines
• Alternative Parents: Fatty acyl glycosides of mono- and disaccharides Tetracarboxylic acids and derivatives Fluorenes O-glycosyl compounds Alpha amino acids and derivatives Oxanes Monosaccharides Acetamides Carbamate esters Secondary carboxylic acid amides Carboxylic acid esters Organic carbonic acids and derivatives Carboxylic acids Acetals Oxacyclic compounds Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-acyl-alpha-hexosamine - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Tetracarboxylic acid or derivatives - Fluorene - O-glycosyl compound - Glycosyl compound - Alpha-amino acid or derivatives - Benzenoid - Oxane - Monosaccharide - Fatty acyl - Carbamic acid ester - Acetamide - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Carbonic acid derivative - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl 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
• Molecular Weight: 656.600 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 16
• Exact Mass: 656.222 Da
• Monoisotopic Mass: 656.222 Da
• Topological Polar Surface Area: 202.000 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 1140.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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

References

1. Chuqing Liu, Guiju Xu, Baoyu Li, Xiaoli Wang, Jin-Ming Lin, Ru-Song Zhao.  (2022)  Three-dimensional hydroxylated covalent organic frameworks for solid phase extraction of glucocorticoids in environmental water samples.  ANALYTICA CHIMICA ACTA,      [PMID:36628702] [10.1016/j.aca.2022.340662]

2. Hao Ling, Qiufeng Mao, Sen Liu, Hongxia Gao, Juan Lv, Yu Mao, Zhiwu Liang.  (2021)  Simple and Shortcut Method for Evaluating and Guiding the Removal of Degradation Products, Improving Solvent Performance, and Reducing Regeneration Energy.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.0c05762]

3. Zhi-Xin Li, Xian-Yong Wei, Guang-Hui Liu, Xing-Long Meng, Zheng Yang, Shuo Niu, Di Zhang, Hua-Shuai Gao, Zhi-Hao Ma, Zhi-Min Zong.  (2019)  Highly selective hydrogenation of furfural and levulinic acid over Ni0.09Zn/NC600 derived from ZIFW-8.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2019.110651]

4. Qiushi Chen, Wangzhirui Cheng, Can Li, Yi Man Eva Fung, Jiaqi Wang, Han Liu, Xuechen Li.  (2026)  Higher-Energy Collisional Dissociation Mass Spectrometry Fragmentation Enables Distinguishing O-GlcNAc from Tn Antigen in Cancer Cells.  JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY,      [PMID:41518202] [10.1021/jasms.5c00378]