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

CAS: 1707-77-3 Cat. No.: D107893 Summenformel: C₁₂H₂₂O₆ Molekulargewicht: 262.30 Beilstein Registry Number: 83765 EG-Nummer: 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

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504756298
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756298
• Kanonisches Lächeln: 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
• Isomere SMILES: CC1(OC[C@@H](O1)[C@H]([C@@H]([C@H]2COC(O2)(C)C)O)O)C
• WGK Deutschland: 3
• Molekulargewicht: 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
    • Klasse Organooxygen compounds
      • Subclass Ethers
        • Ebene5 Acetals
          • Ebene6 Ketals

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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Spezifische Drehung [α]: 6.5 ° (C=8, CHCl3)
• Schmelzpunkt (°C): 117.0-123.0 °C
• Molekulargewicht: 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