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Versiconol

CAT: 0013-GTR19228857-05Size: 5 mgDry Ice: NoHazardous: No
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Description
Versiconol (CAS 22268-13-9) is a valuable small molecule for life science research. It serves as a useful tool compound in biochemical studies, with applications in both in vitro enzymatic assays and in vivo research models to investigate biological pathways.
CAS Number
22268-13-9
Smiles
OCCC (CO) c1c (O) cc2C (=O) c3cc (O) cc (O) c3C (=O) c2c1O
Molecular Formula
C18H16O8
Molecular Weight
360.318
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Versiconol

(S)-versiconol is an optically active form of versiconol having S-configuration. It is a conjugate acid of a (S)-versiconol(1-).

CAS Number22268-13-9
PubChem CID161385
IUPAC Name2-[(2S)-1,4-dihydroxybutan-2-yl]-1,3,6,8-tetrahydroxyanthracene-9,10-dione
Molecular FormulaC18H16O8
Molecular Weight360.3
XLogP1
Topological Polar Surface Area156
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity551
SMILES
C1=C(C=C(C2=C1C(=O)C3=CC(=C(C(=C3C2=O)O)[C@H](CCO)CO)O)O)O
InChI
InChI=1S/C18H16O8/c19-2-1-7(6-20)13-12(23)5-10-15(17(13)25)18(26)14-9(16(10)24)3-8(21)4-11(14)22/h3-5,7,19-23,25H,1-2,6H2/t7-/m1/s1
InChIKey
ZLIRCPWCWHTYNP-SSDOTTSWSA-N
Chemical Structure
2D Structure
2D structure of Versiconol
CAS: 22268-13-9
CID: 161385
Formula: C18H16O8
MW: 360.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.3
XLogP31
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass360.08451746
Monoisotopic Mass360.08451746
Topological Polar Surface Area156 Ų
Heavy Atom Count26
Formal Charge0
Complexity551
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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