6'-Sialyllactose - ≥98% , CAS No.35890-39-2

CAS: 35890-39-2 Cat. No.: S769838 분자식: C₂₃H₃₉NO₁₉ 분자량: 633.551 PubChem CID: 643987

GRADE & PURITY ≥98%

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

사양 및 순도

≥98%

보관 조건

Store at -20°C,Desiccated

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

• 정식 스마일: CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OCC2C(C(C(C(O2)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O
• IUPAC Name: (2R,4S,5R,6R)-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-2-yl]methoxy]oxane-2-carboxylic acid
• InChIKey: VMWYCXKMRSTDSP-GIGDJUIZSA-N
• INCHI: 1S/C23H39NO19/c1-7(28)24-13-8(29)2-23(22(38)39,43-20(13)15(34)10(31)4-26)40-6-12-16(35)17(36)18(37)21(41-12)42-19(11(32)5-27)14(33)9(30)3-25/h3,8-21,26-27,29-37H,2,4-6H2,1H3,(H,24,28)(H,38,39)/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20+,21-,23+/m0/s1
• 이성체 SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O
• PubChem CID: 643987
• 분자량: 633.551

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Sugar acids and derivatives
          • Level6 Sugar amino acids and derivatives
            • Level7 Pyranoid amino acids and derivatives
              • Level8 Neuraminic acids and derivatives
                • Level9 N-acylneuraminic acids and derivatives
                  • Level10 N-acylneuraminic acids

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Sugar acids and derivatives - Sugar amino acids and derivatives - Pyranoid amino acids and derivatives - Neuraminic acids and derivatives - N-acylneuraminic acids and derivatives
• Direct Parent: N-acylneuraminic acids
• Alternative Parents: Neuraminic acids Fatty acyl glycosides of mono- and disaccharides C-glucuronides Alkyl glycosides C-glycosyl compounds Disaccharides O-glycosyl compounds Ketals Beta-hydroxy aldehydes Pyrans Oxanes Alpha-hydroxyaldehydes Acetamides Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Polyols Carboxylic acids Hydrocarbon derivatives Primary alcohols Organopnictogen compounds Organic oxides Organonitrogen compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-acylneuraminic acid - Neuraminic acid - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - C-glucuronide - Alkyl glycoside - C-glycosyl compound - Disaccharide - Glycosyl compound - O-glycosyl compound - Ketal - Beta-hydroxy aldehyde - Fatty acyl - Pyran - Oxane - Acetamide - Alpha-hydroxyaldehyde - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Polyol - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Acetal - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Aldehyde - Primary alcohol - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as n-acylneuraminic acids. These are neuraminic acids carrying an N-acyl substituent.
• 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

화학 및 물리적 특성

• 분자량: 633.600 g/mol
• XLogP3: -8.000
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 15
• Exact Mass: 633.212 Da
• Monoisotopic Mass: 633.212 Da
• Topological Polar Surface Area: 343.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 927.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 15
• 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

참고 문헌

1. Zhou Chen, Yanyin Song, Yuhan Yan, Ziang Wu, Jiangqi Xu.  (2025)  Simulative Fabrication of Milk Fortified with Sialyloligosaccharides and Its Prospective Applications.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:40499142] [10.1021/acs.jafc.5c02884]