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Cesternoside A

CAT: 0013-GTR19228182-05Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228182-05Size:5 mg
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Description
Cesternoside A
CAS Number
153120-71-9
Smiles
CCC (C) c1cc (O) cc (O) c1O[C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C16H24O8
Molecular Weight
344.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cesternoside A
CAS Number153120-71-9
PubChem CID146115911
IUPAC Name(2S,3R,4S,5S,6R)-2-(2-butan-2-yl-4,6-dihydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC16H24O8
Molecular Weight344.36
XLogP0.7
Topological Polar Surface Area140
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity394
SMILES
CCC(C)C1=C(C(=CC(=C1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C16H24O8/c1-3-7(2)9-4-8(18)5-10(19)15(9)24-16-14(22)13(21)12(20)11(6-17)23-16/h4-5,7,11-14,16-22H,3,6H2,1-2H3/t7?,11-,12-,13+,14-,16+/m1/s1
InChIKey
QWDZAIPHGHHAJD-MDPRTGSHSA-N
Chemical Structure
2D Structure
2D structure of Cesternoside A
CAS: 153120-71-9
CID: 146115911
Formula: C16H24O8
MW: 344.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.36
XLogP30.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass344.14711772
Monoisotopic Mass344.14711772
Topological Polar Surface Area140 Ų
Heavy Atom Count24
Formal Charge0
Complexity394
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T125754-01Cesternoside A

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