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(-)-1,4-Di-O-tosyl-2,3-O-isopropylidene-L-threitol - >98.0%(HPLC), high purity , CAS No.37002-45-2

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 37002-45-2
Molecular Weight: 470.55
Beilstein Registry Number: 99610
MDL number: MFCD00003212
PubChem CID: 97439
PubChem SID: 504756367

In stock

Item Number

D155498

Grouped product items
SKU	Size	Availability	Price
D155498-200mg	200mg	2	$12.90
D155498-1g	1g	2	$46.90
D155498-5g	5g	1	$147.90
D155498-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$662.90

View related series

Five-Membered Heterocyclic Compounds (2064) Glycoscience (91)

Basic Description

Synonyms	EINECS 253-306-3 \| [(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diyl]bis(methylene) bis(4-methylbenzenesulfonate) \| CBDivE_001560 \| D1623 \| ((4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene) bis(4-methylbenzenesulfonate) \| [(4S,5S)-2,2-dimethyl-5-{[(4
Specifications & Purity	≥98%(HPLC)
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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonate esters
Alternative Parents	p-Methylbenzenesulfonates Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Ketals Organosulfonic acid esters Sulfonyls 1,3-dioxolanes Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Ketal - Toluene - Organosulfonic acid ester - Meta-dioxolane - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Acetal - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
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

Names and Identifiers

Pubchem Sid	504756367
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756367
IUPAC Name	[(4S,5S)-2,2-dimethyl-5-[(4-methylphenyl)sulfonyloxymethyl]-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
INCHI	InChI=1S/C21H26O8S2/c1-15-5-9-17(10-6-15)30(22,23)26-13-19-20(29-21(3,4)28-19)14-27-31(24,25)18-11-7-16(2)8-12-18/h5-12,19-20H,13-14H2,1-4H3/t19-,20-/m0/s1
InChIKey	KPFDKWNWYAXRNJ-PMACEKPBSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)OCC2C(OC(O2)(C)C)COS(=O)(=O)C3=CC=C(C=C3)C
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2[C@@H](OC(O2)(C)C)COS(=O)(=O)C3=CC=C(C=C3)C
WGK Germany	3
Molecular Weight	470.55
Beilstein	99610
Reaxy-Rn	4726913
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4726913&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.

6 results found

Lot Number	Certificate Type	Date	Item
K2330070	Certificate of Analysis	Dec 07, 2023	D155498
K2320134	Certificate of Analysis	Nov 29, 2023	D155498
K2313120	Certificate of Analysis	Aug 07, 2023	D155498
J1923156	Certificate of Analysis	Aug 07, 2023	D155498
L2206165	Certificate of Analysis	Dec 20, 2022	D155498
L2208614	Certificate of Analysis	Dec 16, 2022	D155498

Chemical and Physical Properties

Specific Rotation[α]	-23° (C=8.8,CH3CN)
Melt Point(°C)	90.0-94.0℃
Molecular Weight	470.600 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	470.107 Da
Monoisotopic Mass	470.107 Da
Topological Polar Surface Area	122.000 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	714.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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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