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

CAS: 99-20-7 Cat. No.: D110019 분자식: C₁₂H₂₂O₁₁ 분자량: 342.3 Beilstein Registry Number: 17(3/4)3505 EC 번호: 202-739-6

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥99%

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥99%

이름과 식별자

Pubchem Sid

504751340

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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 독일

2

분자량

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
    • 분류 Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 O-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water.
• 감도: Moisture sensitive
• 특정 회전[α]: 197 ° (C=7, H2O)
• 녹는점(°C): 203°C
• 분자량: 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