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Esterbut-6

CAT: 0931-T25389-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T25389-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
125161-48-0
Target
Others
Related Pathways
Others
Bioactivity
Esterbut-6 is a potent tumor cell proliferation inhibitor in vivo by stabilizes butyric acid.
Smiles
O[C@@H]1[C@@]2([C@](O[C@@]1([C@@H](COC(CCC)=O)O)[H])(OC(C)(C)O2)[H])[H]
Molecular Formula
C13H22O7
Molecular Weight
290.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Esterbut-6

stabilizes butyric acid as a potent inhibitor of tumor cell proliferation in vivo; RN given refers to (alpha-D-isomer); RN for cpd without isomeric designation not avail 7/91

CAS Number125161-48-0
PubChem CID130382
IUPAC Name[(2R)-2-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethyl] butanoate
Molecular FormulaC13H22O7
Molecular Weight290.31
XLogP0.4
Topological Polar Surface Area94.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity357
SMILES
CCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)O)O
InChI
InChI=1S/C13H22O7/c1-4-5-8(15)17-6-7(14)10-9(16)11-12(18-10)20-13(2,3)19-11/h7,9-12,14,16H,4-6H2,1-3H3/t7-,9+,10-,11-,12-/m1/s1
InChIKey
JFNYWUOXVCFHHV-AWHZUTQYSA-N
Chemical Structure
2D Structure
2D structure of Esterbut-6
CAS: 125161-48-0
CID: 130382
Formula: C13H22O7
MW: 290.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.31
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass290.13655304
Monoisotopic Mass290.13655304
Topological Polar Surface Area94.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity357
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-118719Esterbut-6
HY-105414Esterbut-3
sc-257002A6,6,6-Trifluoronorleucine
GC4378-1mgMethyl 6,6'',6''''-trideoxy-6,6'',6''''-triiodo-β-D-cellotrioside
BICL2356-01Methyl 6,6',6''-trideoxy-6,6',6''-triiodo-ß-D-cellohexaoside
GC3568-5mgMethyl 6,6'',6''''-trideoxy-6,6'',6''''-triiodo-β-D-cellohexaoside
BICL2357-01Methyl 6,6',6''-trideoxy-6,6',6''-triiodo-ß-D-cellotrioside
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