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1，4-Anhydro-D-sorbitol - analytical standard, high purity , CAS No.27299-12-3

COA

Grade & Purity:

analytical standard

Cas Number: 27299-12-3
Molecular Weight: 164.16
PubChem CID: 10953859

In stock

Item Number

A690932

Grouped product items
SKU	Size	Availability	Price	Qty
A690932-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,125.90

Basic Description

Specifications & Purity	analytical standard
Grade	analytical standard

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Tetrahydrofurans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Tetrahydrofurans
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Tetrahydrofurans
Alternative Parents	Secondary alcohols Oxacyclic compounds Dialkyl ethers Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Tetrahydrofuran - Secondary alcohol - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.
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

IUPAC Name	(2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
INCHI	InChI=1S/C6H12O5/c7-1-3(8)6-5(10)4(9)2-11-6/h3-10H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKey	JNYAEWCLZODPBN-JGWLITMVSA-N
Smiles	C1C(C(C(O1)C(CO)O)O)O
Isomeric SMILES	C1[C@@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O
Molecular Weight	164.16
Reaxy-Rn	109153
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109153&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	164.160 g/mol
XLogP3	-2.100
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	164.068 Da
Monoisotopic Mass	164.068 Da
Topological Polar Surface Area	90.200 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	128.000
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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