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2-Hydroxypropane-1,3-Diyl Dibutyrate

CAT: 1299-RG-H250466-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-H250466-01Size:10 mg
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CAS Number
32648-01-4
Synonyms
2-hydroxypropane-1,3-diyl dibutyrate
Molecular Formula
C11H20O5
Molecular Weight
232.27
Product Name Synonym
2-hydroxypropane-1,3-diyl dibutyrate

Chemical Information

Dibutyrin

1,2-dibutyrin is a dibutyrin resulting from the condensation the secondary hydroxy group and one of the primary hydroxy groups of glycerol with butyric acid. It has a role as a Mycoplasma genitalium metabolite. It is a primary alcohol and a dibutyrin.

CAS Number32648-01-4
PubChem CID10177014
IUPAC Name(2-butanoyloxy-3-hydroxypropyl) butanoate
Molecular FormulaC11H20O5
Molecular Weight232.27
XLogP1
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count16
Formal Charge0
Complexity214
SMILES
CCCC(=O)OCC(CO)OC(=O)CCC
InChI
InChI=1S/C11H20O5/c1-3-5-10(13)15-8-9(7-12)16-11(14)6-4-2/h9,12H,3-8H2,1-2H3
InChIKey
AWHAUPZHZYUHOM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dibutyrin
CAS: 32648-01-4
CID: 10177014
Formula: C11H20O5
MW: 232.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.27
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass232.13107373
Monoisotopic Mass232.13107373
Topological Polar Surface Area72.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity214
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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