D-Glucal - ≥96% , CAS No.13265-84-4

CAS: 13265-84-4 Cat. No.: G107889 Summenformel: C₆H₁₀O₄ Molekulargewicht: 146.14 Beilstein Registry Number: 17(5)5,697 EG-Nummer: 236-259-3

GRADE & PURITY ≥96%

Synonyms

rel-(2R,3S,4R)-2-(Hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol | D-(+)-Glucal | Glucal | D-arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy- | Q5572298 | D-Glucal, 96% | AKOS015924783 | MFCD09039277 | SCHEMBL154476 | AMY32678 | (2R,3S,4R)-2-(hydroxymethyl)-3,4-d

Storage

Lagerung bei 2-8°C, vor Licht geschützt

Shipped In

Nasses Eis

Specifications

Synonyme

rel-(2R,3S,4R)-2-(Hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol | D-(+)-Glucal | Glucal | D-arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy- | Q5572298 | D-Glucal, 96% | AKOS015924783 | MFCD09039277 | SCHEMBL154476 | AMY32678 | (2R,3S,4R)-2-(hydroxymethyl)-3,4-d

Spezifikationen & Reinheit

≥96%

Storage

Lagerung bei 2-8°C, vor Licht geschützt

Verschickt in

Nasses Eis

Reinheit

≥96%

Namen und Kennungen

• Pubchem Sid: 508810455
• Kanonisches Lächeln: C1=COC(C(C1O)O)CO
• IUPAC Name: (2R,3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
• InChIKey: YVECGMZCTULTIS-PBXRRBTRSA-N
• INCHI: 1S/C6H10O4/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2/t4-,5-,6+/m1/s1
• Isomere SMILES: C1=CO[C@@H]([C@H]([C@@H]1O)O)CO
• Molekulargewicht: 146.14
• Beilstein: 17(5)5,697
• Reaxy-Rn: 25094239
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25094239&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Secondary alcohols
• Alternative Parents: Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Secondary alcohol - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary alcohol - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Empfindlichkeit: Light & heat & moisture sensitive.
• Spezifische Drehung [α]: -10 ° (C=2, H2O)
• Schmelzpunkt (°C): 58-60°C
• Molekulargewicht: 146.140 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 146.058 Da
• Monoisotopic Mass: 146.058 Da
• Topological Polar Surface Area: 69.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 134.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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