D-Glucose-1-¹³C - ≥99 atom% 13C , CAS No.40762-22-9

CAS: 40762-22-9 Cat. No.: D135509 Peso molecular: 181.15

GRADE & PURITY ≥99 atom% 13C

Synonyms

D-Glucose-1-13C, 99 atom % 13C | Omicron GLC-018 | (3R,4S,5S,6R)-6-(hydroxymethyl)(213C)oxane-2,3,4,5-tetrol | D-Glucose-1-13C, S & P tested, 99 atom % 13C | DTXSID90484451 | D-[1-13C]glucose | D-Glucose-1-13C | SCHEMBL6038231 | D-Glucose-1-13C min. Chem.

Storage

Protected from light,Room temperature

Shipped In

Normal

Descripción general

D-Glucose-1-13C can be used:

• To predict the primary reaction mechanism in pyrolysis of glucose.

• To study C−C bond cleavage mechanism in the conversion of labeled glucose into alkanediols using Ni−MgO−ZnO catalyst.

• In tracer enrichment determination in blood plasma using high-resolution mass spectrometry.

Specifications

Sinónimos

D-Glucose-1-13C, 99 atom % 13C | Omicron GLC-018 | (3R, 4S, 5S, 6R)-6-(hydroxymethyl)(213C)oxane-2, 3, 4, 5-tetrol | D-Glucose-1-13C, S & P tested, 99 atom % 13C | DTXSID90484451 | D-[1-13C]glucose | D-Glucose-1-13C | SCHEMBL6038231 | D-Glucose-1-13C min. Chem.

Especificaciones y pureza

≥99 atom% 13C

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Pureza

≥99 atom% 13C

Nombres e identificadores

• Pubchem Sid: 488198005
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198005
• Sonrisas canónicas: C(C1C(C(C(C(O1)O)O)O)O)O
• IUPAC Name: (3R,4S,5S,6R)-6-(hydroxymethyl)(213C)oxane-2,3,4,5-tetrol
• InChIKey: WQZGKKKJIJFFOK-USBRANDWSA-N
• INCHI: 1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i6+1
• Isómeros SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([13CH](O1)O)O)O)O)O
• CAS alternativo: 50-99-7（unlabelled）
• Peso molecular: 181.15
• Reaxy-Rn: 1907357
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907357&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Monosaccharides
• Alternative Parents: Oxanes Secondary alcohols Hemiacetals Polyols Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxane - Monosaccharide - Secondary alcohol - Hemiacetal - Oxacycle - Organoheterocyclic compound - Polyol - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as monosaccharides. These are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn.
• 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive， Light sensitive
• Rotación específica [α]: [α]25/D +52.0°, c = 2 in H2O (trace NH4OH)
• Punto de fusión (°C): 150-152°C
• Peso molecular: 181.150 g/mol
• XLogP3: -2.600
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 181.067 Da
• Monoisotopic Mass: 181.067 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 151.000
• Isotope Atom Count: 1
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Zhou Hua, Ren Yue, Yao Bingxin, Li Zhenhua, Xu Ming, Ma Lina, Kong Xianggui, Zheng Lirong, Shao Mingfei, Duan Haohong.  (2023)  Scalable electrosynthesis of commodity chemicals from biomass by suppressing non-Faradaic transformations.  Nature Communications,  14  (1): (1-12).  [PMID:37699949] [10.1038/s41467-023-41497-y]

2. Qingna Lin, Lipeng Han, Guoqin Liu, Weiwei Cheng, Liqing Wang.  (2018)  A preliminary study on the formation pathways of glycated phosphatidylethanolamine of food rich in phospholipid during the heat-processing.  RSC Advances,  8  (21): (11280-11288).  [PMID:35542782] [10.1039/C8RA01072B]

3. Miao Liu, Ying He, Ying-Ying Jiao, Ling Ding, Di An, Yang Yang, Qing-Qing Hao, Hui-Yong Chen, Qun-Xing Luo.  (2024)  Nature of Glucose Epimerization Catalyzed by Mo-Containing Bulk Catalysts in Aqueous Phase.  ACS Catalysis,      [PMID:] [10.1021/acscatal.4c02893]

4. Yanjuan Yang, Yuhuan Li, Liang Deng, Shangzhi Xie, Chuang Gao, Zixu Yang, Jing Xu.  (2025)  The critical role of crystal phases of LaPO4 in controlling the acidic sites for the production of 5-hydroxymethylfurfural from glucose.  GREEN CHEMISTRY,      [PMID:] [10.1039/D5GC01931A]