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

CAS: 40762-22-9 Cat. No.: D135509 Summenformel: ¹³CC₅H₁₂O₆ Molekulargewicht: 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-1-1-13C min. Che

Storage

Protected from light,Room temperature

Shipped In

Normal

Übersicht

D-Glucose-1-13C kann verwendet werden:

- Vorhersage des primären Reaktionsmechanismus bei der Pyrolyse von Glukose.

- Zur Untersuchung des Mechanismus der C-C-Bindungsspaltung bei der Umwandlung von markierter Glukose in Alkandiole unter Verwendung eines Ni-MgO-ZnO-Katalysators.

- Bestimmung der Tracer-Anreicherung in Blutplasma mittels hochauflösender Massenspektrometrie.

Specifications

Synonyme

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-1-1-13C min. Che

Spezifikationen & Reinheit

≥99 Atom% 13C

Storage

Protected from light,Room temperature

Verschickt in

Normal

Reinheit

≥99 atom% 13C

Namen und Kennungen

Pubchem Sid

488198005

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198005

Kanonisches Lächeln

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

Isomere SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([13CH](O1)O)O)O)O)O

Alternative CAS-Nummer

50-99-7（unlabelled）

Molekulargewicht

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
    • Klasse Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive， Light sensitive
• Spezifische Drehung [α]: [α]25/D +52.0°, c = 2 in H2O (trace NH4OH)
• Schmelzpunkt (°C): 150-152°C
• Molekulargewicht: 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