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Catalpol

CAT: 0127-OR1026446-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1026446-03Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2415-24-9
Synonyms
(2S,3R,4S,5S,6R) -2-[[ (1S,2S,4S,5S,6R,10S) -5-hydroxy-2- (hydroxymethyl) -3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6- (hydroxymethyl) oxane-3,4,5-triol
Purity
98%
Smiles
C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

Chemical Information

Catalpol

Catalpol is an organic molecular entity. It has a role as a metabolite.

CAS Number2415-24-9
PubChem CID91520
IUPAC Name(2S,3R,4S,5S,6R)-2-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC15H22O10
Molecular Weight362.33
XLogP-3.2
Topological Polar Surface Area162
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity542
SMILES
C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1
InChIKey
LHDWRKICQLTVDL-PZYDOOQISA-N
Chemical Structure
2D Structure
2D structure of Catalpol
CAS: 2415-24-9
CID: 91520
Formula: C15H22O10
MW: 362.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.33
XLogP3-3.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass362.12129689
Monoisotopic Mass362.12129689
Topological Polar Surface Area162 Ų
Heavy Atom Count25
Formal Charge0
Complexity542
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TC030186Catalpol

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