D-(+)-Trehalose Anhydrous - ≥99% , CAS No.99-20-7

CAS: 99-20-7 Cat. No.: D110019 Fórmula: C₁₂H₂₂O₁₁ Peso molecular: 342.3 Beilstein Registry Number: 17(3/4)3505 Número CE: 202-739-6

GRAU & PUREZA ≥99%

Synonyms

bmse000125 | BRD-K54028654-001-01-8 | D-(+)-Trehalose, anhydrous | D-(+)-Trehalose Anhydrous | Natural trehalose | 2b1q | alpha-D-glucopyranosyl-alpha-D-glucopyranoside | Glc(a1-1a)Glc | Mycose | AKOS016010347 | a-D-Glucopyranosyl a-D-glucopyranoside | Tr

Storage

Room temperature,Argon charged

Shipped In

Normal

Especificações

Sinónimos

bmse000125 | BRD-K54028654-001-01-8 | D-(+)-Trehalose, anhydrous | D-(+)-Trehalose Anhydrous | Natural trehalose | 2b1q | alpha-D-glucopyranosyl-alpha-D-glucopyranoside | Glc(a1-1a)Glc | Mycose | AKOS016010347 | a-D-Glucopyranosyl a-D-glucopyranoside | Tr

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

504751340

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751340

Sorrisos canónicos

C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O

IUPAC Name

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol

InChIKey

HDTRYLNUVZCQOY-LIZSDCNHSA-N

INCHI

1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1

SMILES isoméricas

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O

WGK Alemanha

2

Peso molecular

342.3

Beilstein

17(3/4)3505

Reaxy-Rn

11328391

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11328391&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 O-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: O-glycosyl compounds
• Alternative Parents: Disaccharides Oxanes Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: O-glycosyl compound - Disaccharide - Oxane - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Acetal - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
• External Descriptors: Disaccharides

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

Alvos associados (humanos)

APP Tclin Amyloid-beta A4 protein (8510 Activities)

Discover Target: APP

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HTT Tchem Huntingtin (19182 Activities)

Discover Target: HTT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Trehalose-phosphatase (56 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water.
• Sensibilidade: Moisture sensitive
• Rotação específica [α]: 197 ° (C=7, H2O)
• Ponto de fusão (°C): 203°C
• Peso molecular: 342.300 g/mol
• XLogP3: -4.200
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 342.116 Da
• Monoisotopic Mass: 342.116 Da
• Topological Polar Surface Area: 190.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 348.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• 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