D-Sorbitol hexaacetate - ≥97% , CAS No.7208-47-1

CAS: 7208-47-1 Cat. No.: D351651 Formule: CH₃CO₂CH₂[CH(O₂CCH₃)]₄CH₂O₂CCH₃ Poids moléculaire: 434.39

GRADE & PURITY ≥97%

Synonyms

SORBITOLHEXAACETATE | DTXSID40884361 | SCHEMBL270042 | (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexayl hexaacetate | AKOS015915918 | D-Glucitol, 1,2,3,4,5,6-hexaacetate | (2R,3R,4R,5S)-1,2,4,5,6-PENTAKIS(ACETYLOXY)HEXAN-3-YL ACETATE | D-Sorbitol hexaacetate | SOR

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

SORBITOLHEXAACETATE | DTXSID40884361 | SCHEMBL270042 | (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexayl hexaacetate | AKOS015915918 | D-Glucitol, 1,2,3,4,5,6-hexaacetate | (2R,3R,4R,5S)-1,2,4,5,6-PENTAKIS(ACETYLOXY)HEXAN-3-YL ACETATE | D-Sorbitol hexaacetate | SOR

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488196305

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196305

Sourires canoniques

CC(=O)OCC(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

IUPAC Name

[(2S,3R,4R,5R)-2,3,4,5,6-pentaacetyloxyhexyl] acetate

InChIKey

NJVBTKVPPOFGAT-XMTFNYHQSA-N

INCHI

1S/C18H26O12/c1-9(19)25-7-15(27-11(3)21)17(29-13(5)23)18(30-14(6)24)16(28-12(4)22)8-26-10(2)20/h15-18H,7-8H2,1-6H3/t15-,16+,17-,18-/m1/s1

Isomères SMILES

CC(=O)OC[C@H]([C@H]([C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

WGK Allemagne

3

Poids moléculaire

434.39

Reaxy-Rn

1730435

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730435&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Hexacarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Hexacarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hexacarboxylic acids and derivatives
• Alternative Parents: Monosaccharides Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hexacarboxylic acid or derivatives - Monosaccharide - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as hexacarboxylic acids and derivatives. These are carboxylic acids containing exactly six carboxyl groups.
• 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

• Rotation spécifique [α]: [α]20/D +9.5°, c = 1 in acetone
• Point de fusion (°C): 100-104℃
• Poids moléculaire: 434.400 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 17
• Exact Mass: 434.142 Da
• Monoisotopic Mass: 434.142 Da
• Topological Polar Surface Area: 158.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 600.000
• 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

Foire aux questions

What documentation is provided?

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