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

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

COA

Grade & Purity:

≥98%

Cas Number: 642-38-6
Molecular Weight: 194.18
PubChem CID: 151108
PubChem SID: 504757349

In stock

Item Number

L329635

Grouped product items
SKU	Size	Availability	Price
L329635-25mg	25mg	3	$275.90
L329635-50mg	50mg	3	$447.90
L329635-100mg	100mg	2	$721.90
L329635-250mg	250mg	2	$1,442.90

an important starting material for synthesis of optically active inositol phosphates

View related series

Stem Cell/Wnt (1019) Wnt (104) β-catenin (56)

Basic Description

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
Specifications & Purity	≥98%
Source	rubber tree
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	L-Quebrachitol is an important starting material for the synthesis of optically active inositol phosphates.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols
      - Level5 Secondary alcohols
        Level6 Cyclohexanols

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	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
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

Product Properties

pKa	pKₐ: 12.98 (Predicted)

Associated Targets(Human)

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

Associated Targets(non-human)

Phospholipase A2, acidic (39 Activities)

Explore this target

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504757349
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504757349
IUPAC Name	(1R,2S,4S,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol
INCHI	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
InChIKey	DSCFFEYYQKSRSV-MBXCVVGISA-N
Smiles	COC1C(C(C(C(C1O)O)O)O)O
Isomeric SMILES	COC1[C@@H]([C@H](C([C@@H]([C@H]1O)O)O)O)O
WGK Germany	3
Molecular Weight	194.18
Reaxy-Rn	2326506
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2326506&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
J2219816	Certificate of Analysis	Aug 08, 2022	L329635
J2219818	Certificate of Analysis	Aug 08, 2022	L329635
J2219821	Certificate of Analysis	Aug 08, 2022	L329635
J2219811	Certificate of Analysis	Aug 08, 2022	L329635

Chemical and Physical Properties

Solubility	Soluble in water, DMF, and DMSO.
Refractive Index	n20D1.59 (Predicted)
Specific Rotation[α]	α20/D -79°, c = 1.2 in water
Boil Point(°C)	317.17° C at 760 mmHg (Predicted)
Melt Point(°C)	189-192° C (lit.)
Molecular Weight	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 Å²
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

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