2-Monostearin

CAT: 1596-AR-G02573-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-G02573-06Size:250 Units

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CAS Number

621-61-4

Molecular Formula

C21H42O4

Molecular Weight

358.56

API Name

Glycerol

Chemical Information

2-Monostearin

2-stearoylglycerol is a 2-monoglyceride where the acyl group is octadecanoyl (stearoyl). It is functionally related to an octadecanoic acid.

CAS Number	621-61-4
PubChem CID	79075
IUPAC Name	1,3-dihydroxypropan-2-yl octadecanoate
Molecular Formula	C21H42O4
Molecular Weight	358.6
XLogP	7.2
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	20
Heavy Atom Count	25
Formal Charge	0
Complexity	277

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO

InChI

InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3

InChIKey

YQEMORVAKMFKLG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 621-61-4

CID: 79075

Formula: C21H42O4

MW: 358.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	358.6
XLogP3	7.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	20
Exact Mass	358.30830982
Monoisotopic Mass	358.30830982
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	277
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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AR-A01250-01	2,2-Dimethoxy-2-Phenylacetophenone
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AR-E10613-01	2-[ (2,2,2-Trichloroacetyl) oxy]ethyl Trichloroacetate

Catalog	Name
HY-W505131-01	2-Monostearin
23412-42	Monostearin
HY-W505131R	2-Monostearin (Standard)
MBS392845-01	1-Monostearin
MBS393819-01	Monostearin-D35 (D 98%)
MBS3920492	Monostearin-d40, (d5 Glycerol + d35 stearin)
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
H 038-001	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol