1,2,3-Trihydroxypropyl Octadecanoate

Synopsis, Chemistry

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Also known as: Lard glyceride, Glycerides, lard mono-, 61789-10-4, Glycerinmonostearat, Einecs 263-032-6, 1,2,3-trihydroxypropyl octadecanoate

Molecular Formula

C₂₁H₄₂O₅

Molecular Weight

374.6 g/mol

InChI Key

VWBHJJNWHBJGKS-UHFFFAOYSA-N

1 2D Structure

1,2,3-Trihydroxypropyl Octadecanoate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,2,3-trihydroxypropyl octadecanoate

2.1.2 InChI

InChI=1S/C21H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)26-21(25)19(23)18-22/h19,21-23,25H,2-18H2,1H3

2.1.3 InChI Key

VWBHJJNWHBJGKS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C(CO)O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Lard Glyceride

2. Glycerides, Lard Mono-

3. 61789-10-4

4. Glycerinmonostearat

5. Einecs 263-032-6

6. 1,2,3-trihydroxypropyl Octadecanoate

7. Schembl460365

8. Dtxsid30866873

2.3 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₄₂O₅
Molecular Weight	374.6 g/mol
XLogP3	6.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	20
Exact Mass	374.30322444 g/mol
Monoisotopic Mass	374.30322444 g/mol
Topological Polar Surface Area	87 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	309
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1