L-Quebrachitol - ≥98% , CAS No.642-38-6

CAS: 642-38-6 Cat. No.: L329635 Formule: C₇H₁₄O₆ Poids moléculaire: 194.18 Numéro CE: 882-594-9

GRADE & PURITY ≥98%

Synonyms

s3223 | CHEBI:170050 | Q27289500 | Inositol, 2-O-methyl-, L-chiro- | NSC-26254 | MFCD00021405 | Quebrachit | HY-N2375 | (-)-Quebrachitol | NCGC00261980-01 | SCHEMBL22975188 | Quebrachitol | 2B678708-4698-466E-88D8-3443A058E849 | 1L-2-O-methyl-chiro-inosit

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

L-Quebrachitol is an important starting material for the synthesis of optically active inositol phosphates.

Specifications

Synonymes

s3223 | CHEBI:170050 | Q27289500 | Inositol, 2-O-methyl-, L-chiro- | NSC-26254 | MFCD00021405 | Quebrachit | HY-N2375 | (-)-Quebrachitol | NCGC00261980-01 | SCHEMBL22975188 | Quebrachitol | 2B678708-4698-466E-88D8-3443A058E849 | 1L-2-O-methyl-chiro-inosit

Spécifications et pureté

≥98%

Source

rubber tree

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Propriétés du produit

• pKa: pKₐ: 12.98 (Predicted)

Noms et identifiants

• Pubchem Sid: 504757349
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757349
• Sourires canoniques: COC1C(C(C(C(C1O)O)O)O)O
• IUPAC Name: (1R,2S,4S,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol
• InChIKey: DSCFFEYYQKSRSV-MBXCVVGISA-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?/m0/s1
• Isomères SMILES: COC1[C@@H]([C@H](C([C@@H]([C@H]1O)O)O)O)O
• WGK Allemagne: 3
• Poids moléculaire: 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
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Description: 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

Cibles associées (humaines)

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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

Cibles associées (non humaines)

Phospholipase A2, acidic (39 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water, DMF, and DMSO.
• Indice de réfraction: n20D1.59 (Predicted)
• Rotation spécifique [α]: α20/D -79°, c = 1.2 in water
• Point d'ébullition (°C): 317.17° C at 760 mmHg (Predicted)
• Point de fusion (°C): 189-192° C (lit.)
• Poids moléculaire: 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 642-38-6, the molecular formula is C7H14O6, and the molecular weight is 194.18 g/mol. InChIKey DSCFFEYYQKSRSV-MBXCVVGISA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.