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Technical details about Precirol, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Glyceryl palmitostearate, Einecs 232-514-8, Unii-gsy51o183c, Schembl542237, Gsy51o183c, Octadecanoic acid, ester with 1,2,3-propanetriol hexadecanoate
Molecular Formula
C37H76O7
Molecular Weight
633.0  g/mol
InChI Key
FETSQPAGYOVAQU-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
hexadecanoic acid;octadecanoic acid;propane-1,2,3-triol
2.1.2 InChI
InChI=1S/C18H36O2.C16H32O2.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;4-1-3(6)2-5/h2-17H2,1H3,(H,19,20);2-15H2,1H3,(H,17,18);3-6H,1-2H2
2.1.3 InChI Key
FETSQPAGYOVAQU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.C(C(CO)O)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Glyceryl Palmitostearate

2. Precirol Ato 5

2.2.2 Depositor-Supplied Synonyms

1. Glyceryl Palmitostearate

2. Einecs 232-514-8

3. Unii-gsy51o183c

4. Schembl542237

5. Gsy51o183c

6. Octadecanoic Acid, Ester With 1,2,3-propanetriol Hexadecanoate

7. Ft-0699569

8. 8067-32-1

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 633.0 g/mol
Molecular Formula C37H76O7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count32
Exact Mass632.55910476 g/mol
Monoisotopic Mass632.55910476 g/mol
Topological Polar Surface Area135 Ų
Heavy Atom Count44
Formal Charge0
Complexity405
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
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