D-Glucose-2-¹³C - ≥99 atom% 13C,≥98% , CAS No.105931-74-6

CAS: 105931-74-6 Cat. No.: D132193 Molecular Weight: 181.15

GRADE & PURITY ≥99 atom% 13C,≥98%

Synonyms

DTXSID20484449 | D-Glucose-13C-3 | D-[2-13C]glucose | D-Glucose-2-(13-C) | HY-B0389S13 | AKOS015915810 | Labeled Glucose | D-Glucose-2-13C, 99 atom % 13C | D-Glucose-2-13C, S & P tested, 99 atom % 13C | J-001503 | (3R,4S,5S,6R)-6-(hydroxymethyl)(313C)oxan

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID20484449 | D-Glucose-13C-3 | D-[2-13C]glucose | D-Glucose-2-(13-C) | HY-B0389S13 | AKOS015915810 | Labeled Glucose | D-Glucose-2-13C, 99 atom % 13C | D-Glucose-2-13C, S & P tested, 99 atom % 13C | J-001503 | (3R, 4S, 5S, 6R)-6-(hydroxymethyl)(313C)oxan

Specifications & Purity

≥99 atom% 13C, ≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99 atom% 13C, ≥98%

Names and Identifiers

• Canonical Smiles: C(C1C(C(C(C(O1)O)O)O)O)O
• IUPAC Name: (3R,4S,5S,6R)-6-(hydroxymethyl)(313C)oxane-2,3,4,5-tetrol
• InChIKey: WQZGKKKJIJFFOK-UKLRSMCWSA-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/i5+1
• Isomeric SMILES: C([C@@H]1[C@H]([C@@H]([13C@H](C(O1)O)O)O)O)O
• Molecular Weight: 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
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 150-152 °C
• Molecular Weight: 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