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(2R,3R,4S,5R)-6-Oxohexane-1,2,3,4,5-pentayl pentaacetate - 95%, high purity , CAS No.3891-59-6

COA

Grade & Purity:

≥95%

Cas Number: 3891-59-6
Molecular Weight: 390.34
PubChem CID: 92972

In stock

Item Number

R193148

Grouped product items
SKU	Size	Availability	Price	Qty
R193148-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$45.90
R193148-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$64.90

Basic Description

Synonyms	3891-59-6 \| (2R,3R,4S,5R)-6-Oxohexane-1,2,3,4,5-pentayl pentaacetate \| Glucose 2,3,4,5,6-pentaacetate \| D-Glucose, 2,3,4,5,6-pentaacetate \| D-Glucose,2,3,4,5,6-pentaacetate \| D-Glucose 2,3,4,5,6-pentaacetate \| FEMA No. 2524 \| MFCD09996912 \| UNII-3040885R4N \| EINECS 223-439
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Pentacarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Pentacarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pentacarboxylic acids and derivatives
Alternative Parents	Monosaccharides Medium-chain aldehydes Alpha-acyloxy aldehydes Carboxylic acid esters Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Pentacarboxylic acid or derivatives - Medium-chain aldehyde - Alpha-acyloxy aldehyde - Monosaccharide - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups.
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,5R)-2,3,4,5-tetraacetyloxy-6-oxohexyl] acetate
INCHI	InChI=1S/C16H22O11/c1-8(18)23-7-14(25-10(3)20)16(27-12(5)22)15(26-11(4)21)13(6-17)24-9(2)19/h6,13-16H,7H2,1-5H3/t13-,14+,15+,16+/m0/s1
InChIKey	UAOKXEHOENRFMP-ZJIFWQFVSA-N
Smiles	CC(=O)OC[C@H]([C@H]([C@@H]([C@H](C=O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Isomeric SMILES	CC(=O)OC[C@H]([C@H]([C@@H]([C@H](C=O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
PubChem CID	92972
Molecular Weight	390.34

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	390.340 g/mol
XLogP3	-0.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	15
Exact Mass	390.116 Da
Monoisotopic Mass	390.116 Da
Topological Polar Surface Area	149.000 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	583.000
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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