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Span 40 - reagent grade, high purity , CAS No.26266-57-9
Basic Description
Synonyms
Endrin 20 EC | Protachem SMP | Rheodol SP-P 10 | AI3-03901 | BCP14221 | Crill 2 | EINECS 247-568-8 | [(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] hexadecanoate | SORBITAN PALMITATE [INCI] | SORBITAN, MONOHEXADECANOATE | DSSTox_CID_9335 |
Specifications & Purity
Reagent grade
Shipped In
Normal
Grade
Reagent Grade
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Fatty acid esters
Alternative Parents
Tetrahydrofurans Secondary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Fatty acid ester - Tetrahydrofuran - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Carbonyl group - Organic oxide - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
Pubchem Sid
488199160
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488199160
IUPAC Name
[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] hexadecanoate
INCHI
InChI=1S/C22H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)27-17-19(24)22-21(26)18(23)16-28-22/h18-19,21-24,26H,2-17H2,1H3/t18-,19+,21+,22+/m0/s1
InChIKey
IYFATESGLOUGBX-YVNJGZBMSA-N
Smiles
CCCCCCCCCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O
Isomeric SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)O)O
WGK Germany
1
RTECS
WG2932900
PubChem CID
16212480
Molecular Weight
402.57
Reaxy-Rn
10040938
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive.
Flash Point(°F)
235.4℉
Flash Point(°C)
113°C
Melt Point(°C)
46-47°C
Molecular Weight
402.600 g/mol
XLogP3
5.800
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
18
Exact Mass
402.298 Da
Monoisotopic Mass
402.298 Da
Topological Polar Surface Area
96.200 Ų
Heavy Atom Count
28
Formal Charge
0
Complexity
389.000
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
Citations of This Product
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10 Citations
F2303646