1,3-Propane-d6-diol - ≥98%(CP),≥98 atom% D , CAS No.284474-77-7

CAS: 284474-77-7 Cat. No.: P757242 Peso molecular: 82.13

GRADE & PURITY ≥98%(CP),≥98 atom% D

Synonyms

1,3-Dihydroxypropane-d6 | 1,3-Propylene Glycol-d6 | 1,3-Propylenediol-d6

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

1,3-Propanediol-d6 is the deuterium labeled 1,3-Propanediol. 1,3-Propanediol is produced in nature by the fermentation of glycerol in microorganism.

Specifications

Sinónimos

1, 3-Dihydroxypropane-d6 | 1, 3-Propylene Glycol-d6 | 1, 3-Propylenediol-d6

Especificaciones y pureza

≥98%(CP), ≥98 atom% D

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(CP), ≥98 atom% D

Nombres e identificadores

• Sonrisas canónicas: C(CO)CO
• IUPAC Name: 1,1,2,2,3,3-hexadeuteriopropane-1,3-diol
• InChIKey: YPFDHNVEDLHUCE-NMFSSPJFSA-N
• INCHI: 1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2/i1D2,2D2,3D2
• Isómeros SMILES: [2H]C([2H])(C([2H])([2H])O)C([2H])([2H])O
• CAS alternativo: 504-63-2（unlabelled）
• Peso molecular: 82.13
• Reaxy-Rn: 969155
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969155&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (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

Propiedades químicas y físicas

• Peso molecular: 82.130 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 82.0901 Da
• Monoisotopic Mass: 82.0901 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 12.400
• Isotope Atom Count: 6
• Defined Atom Stereocenter Count: 0
• 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