Diacétone-D-Mannitol - ≥97% , CAS No.1707-77-3

CAS: 1707-77-3 Cat. No.: D107893 Formule: C₁₂H₂₂O₆ Poids moléculaire: 262.30 Beilstein Registry Number: 83765 Numéro CE: 216-954-8

GRADE & PURITY ≥97%

Synonyms

D-Mannitol1,2:5,6-bis-acetonide | F10687 | 1,2,5,6-di-O-Isopropylidene-D-mannitol | D-Mannitol 1,2:5,6-bis-acetonide | D2024 | HY-I0703 | SCHEMBL768294 | ODYBCPSCYHAGHA-ZYUZMQFOSA-N | methyl 2-oxo-1,3-dihydro-1,3-benzodiazole-5-carboxylate | (1S,2S)-1,2-B

Storage

Stocker à 2-8°C, chargé d'argon

Shipped In

Glace humide

Specifications

Synonymes

D-Mannitol1,2:5,6-bis-acetonide | F10687 | 1,2,5,6-di-O-Isopropylidene-D-mannitol | D-Mannitol 1,2:5,6-bis-acetonide | D2024 | HY-I0703 | SCHEMBL768294 | ODYBCPSCYHAGHA-ZYUZMQFOSA-N | methyl 2-oxo-1,3-dihydro-1,3-benzodiazole-5-carboxylate | (1S,2S)-1,2-B

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Stocker à 2-8°C, chargé d'argon

Expédié en

Glace humide

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 504756298
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756298
• Sourires canoniques: CC1(OCC(O1)C(C(C2COC(O2)(C)C)O)O)C
• IUPAC Name: (1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
• InChIKey: ODYBCPSCYHAGHA-ZYUZMQFOSA-N
• INCHI: 1S/C12H22O6/c1-11(2)15-5-7(17-11)9(13)10(14)8-6-16-12(3,4)18-8/h7-10,13-14H,5-6H2,1-4H3/t7-,8-,9-,10-/m1/s1
• Isomères SMILES: CC1(OC[C@@H](O1)[C@H]([C@@H]([C@H]2COC(O2)(C)C)O)O)C
• WGK Allemagne: 3
• Poids moléculaire: 262.30
• Beilstein: 83765
• Reaxy-Rn: 83761
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=83761&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: 1,3-dioxolanes Secondary alcohols 1,2-diols Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Ketal - Meta-dioxolane - Secondary alcohol - 1,2-diol - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Rotation spécifique [α]: 6.5 ° (C=8, CHCl3)
• Point de fusion (°C): 117.0-123.0 °C
• Poids moléculaire: 262.300 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 262.142 Da
• Monoisotopic Mass: 262.142 Da
• Topological Polar Surface Area: 77.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 273.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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