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Octyl-α-hydroxyglutarate

CAT: 0013-GTR19261476-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19261476-01Size:1 mg
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Description
Octyl-α-hydroxyglutarate (octyl-2-HG) enhances histone methylation and boosts the viability of LMP1-negative nasopharyngeal carcinoma (NPC) cells.
CAS Number
2097068-39-6
Field of Research
Epigenetics & Chromatin
Smiles
O=C (O) CCC (O) C (=O) OCCCCCCCC
Molecular Formula
C13H24O5
Molecular Weight
260.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Hydroxy-pentanedioic acid 1-octyl ester
CAS Number2097068-39-6
PubChem CID118311262
IUPAC Name4-hydroxy-5-octoxy-5-oxopentanoic acid
Molecular FormulaC13H24O5
Molecular Weight260.33
XLogP2.8
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count18
Formal Charge0
Complexity240
SMILES
CCCCCCCCOC(=O)C(CCC(=O)O)O
InChI
InChI=1S/C13H24O5/c1-2-3-4-5-6-7-10-18-13(17)11(14)8-9-12(15)16/h11,14H,2-10H2,1H3,(H,15,16)
InChIKey
UJZOKTKSGUOCCM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-pentanedioic acid 1-octyl ester
CAS: 2097068-39-6
CID: 118311262
Formula: C13H24O5
MW: 260.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.33
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass260.16237386
Monoisotopic Mass260.16237386
Topological Polar Surface Area83.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity240
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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