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2，3-bis(16-methylheptadecanoyloxy)propyl 16-methylheptadecanoate - ≥98%, high purity , CAS No.26942-95-0

COA

Grade & Purity:

≥98%

Cas Number: 26942-95-0
Molecular Weight: 891.4797
PubChem CID: 168634

In stock

Item Number

B770636

Grouped product items
SKU	Size	Availability	Price	Qty
B770636-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$22.90
B770636-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$77.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Glycerolipids
    - Subclass Triradylcglycerols

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Glycerolipids
Subclass	Triradylcglycerols
Intermediate Tree Nodes	Not available
Direct Parent	Triacylglycerols
Alternative Parents	Tricarboxylic acids and derivatives Fatty acid esters Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Triacyl-sn-glycerol - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages.
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

INCHI	InChI=1S/C57H110O6/c1-51(2)43-37-31-25-19-13-7-10-16-22-28-34-40-46-55(58)61-49-54(63-57(60)48-42-36-30-24-18-12-9-15-21-27-33-39-45-53(5)6)50-62-56(59)47-41-35-29-23-17-11-8-14-20-26-32-38-44-52(3)4/h51-54H,7-50H2,1-6H3
InChIKey	JNAYPSWVMNJOPQ-UHFFFAOYSA-N
Smiles	CC(C)CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C
Isomeric SMILES	CC(C)CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C
Molecular Weight	891.4797

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	891.500 g/mol
XLogP3	24.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	53
Exact Mass	890.83 Da
Monoisotopic Mass	890.83 Da
Topological Polar Surface Area	78.900 Å²
Heavy Atom Count	63
Formal Charge	0
Complexity	924.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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