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

CAS: 642-38-6 Cat. No.: L329635 Formula: C₇H₁₄O₆ Peso molecolare: 194.18 Numero EC: 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

Panoramica

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

Specifications

Sinonimi

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

Specifiche e purezza

≥98%

Fonte

rubber tree

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Proprietà del prodotto

• pKa: pKₐ: 12.98 (Predicted)

Nomi e identificatori

• Pubchem Sid: 504757349
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757349
• Sorrisi canonici: 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
• Isomeri SMILES: COC1[C@@H]([C@H](C([C@@H]([C@H]1O)O)O)O)O
• WGK Germania: 3
• Peso molecolare: 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
• Descrizione: 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

Obiettivi associati (umani)

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

Obiettivi associati (non umani)

Phospholipase A2, acidic (39 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water, DMF, and DMSO.
• Indice di rifrazione: n20D1.59 (Predicted)
• Rotazione specifica [α]: α20/D -79°, c = 1.2 in water
• Punto di ebollizione (°C): 317.17° C at 760 mmHg (Predicted)
• Punto di fusione (°C): 189-192° C (lit.)
• Peso molecolare: 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

Domande frequenti

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.