Sequoyitol - 10mM in DMSO , CAS No.523-92-2

CAS: 523-92-2 Cat. No.: S424491 분자식: C₇H₁₄O₆ 분자량: 194.18

등급 & 순도 10mM in DMSO

Synonyms

CHEBI:179104 | STL511330 | (1R,2S,4R,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol | (1R,2S,3r,4R,5S,6r)-6-methoxycyclohexane-1,2,3,4,5-pentol | 6A797581-AC95-4A84-9F74-C05E5465011A | MS-23046 | bmse000740 | 5-O-Methyl-myo-inositol | E80607 | CCG-266528 | 1-O

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Effect on amyloid beta 42 aggregation assessed as inhibition of fiber formation at 5 mM

사양

동의어

CHEBI:179104 | STL511330 | (1R,2S,4R,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol | (1R,2S,3r,4R,5S,6r)-6-methoxycyclohexane-1,2,3,4,5-pentol | 6A797581-AC95-4A84-9F74-C05E5465011A | MS-23046 | bmse000740 | 5-O-Methyl-myo-inositol | E80607 | CCG-266528 | 1-O

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

Pubchem Sid

528767275

정식 스마일

COC1C(C(C(C(C1O)O)O)O)O

IUPAC Name

(1S,2R,4S,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol

InChIKey

DSCFFEYYQKSRSV-MVWKSXLKSA-N

INCHI

1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4+,5+,6-,7?

이성체 SMILES

COC1[C@@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O

분자량

194.18

Reaxy-Rn

2326506

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2326506&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Cyclitols and derivatives Polyols Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Cyclitol or derivatives - Cyclic alcohol - Polyol - Ether - Dialkyl ether - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
• 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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 194.180 g/mol
• XLogP3: -3.200
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 194.079 Da
• Monoisotopic Mass: 194.079 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 158.000
• 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