2-Hydroxypropane-1,3-diyl distearate

CAT: 0127-OR1070321-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1070321-01Size:25 mg

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CAS Number

504-40-5

MDL Number

MFCD00053741

Purity

95%

Smiles

OC(COC(CCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O

Chemical Information

Glyceryl 1,3-distearate

glyceryl 1,3-distearate has been reported in Streptomyces and Sciadopitys verticillata with data available.

CAS Number	504-40-5
PubChem CID	101269
IUPAC Name	(2-hydroxy-3-octadecanoyloxypropyl) octadecanoate
Molecular Formula	C39H76O5
Molecular Weight	625.0
XLogP	16.2
Topological Polar Surface Area	72.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	38
Heavy Atom Count	44
Formal Charge	0
Complexity	543

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3

InChIKey

IZHVBANLECCAGF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 504-40-5

CID: 101269

Formula: C39H76O5

MW: 625.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	625.0
XLogP3	16.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	38
Exact Mass	624.56927552
Monoisotopic Mass	624.56927552
Topological Polar Surface Area	72.8 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	543
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

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Catalog	Name
RG-A260398-01	3-Hydroxypropane-1,2-Diyl Distearate
HY-151993S	2-Hydroxypropane-1,3-diyl distearate-d75
RG-A263122-01	2-Chloropropane-1,3-Diyl Distearate
HY-W585809S-01	2-Chloropropane-1,3-diyl distearate-d5
HY-W710380-01	3- (Oleoyloxy) propane-1,2-diyl distearate
HY-W585809S1	2-Chloropropane-1,3-diyl distearate-d5 (major)
TRC-P353775-250MG	(R)-3-(Phosphonooxy)propane-1,2-diyl Distearate
RG-A263066-01	3- ((Hydroxy (2-Stearamidoethoxy) Phosphoryl) Oxy) Propane-1,2-Diyl Distearate
RG-A130961-01	(2R) -3- (((2-Aminoethoxy) (Hydroxy) Phosphoryl) Oxy) Propane-1,2-Diyl Distearate
451302-01	Glyceryl 1,2-Distearate

2-Hydroxypropane-1,3-diyl distearate

Chemical Information

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