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β-D-fructopyranose

CAT: 0024-sc-478347Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-478347Size:1 mg
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CAS Number
501666-24-6

Chemical Information

(4R)-4-(2-methylpropyl)-1-[[(2R,3S,4R,5R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl]pyrrolidin-2-one
CAS Number501666-24-6
PubChem CID172641618
IUPAC Name(4R)-4-(2-methylpropyl)-1-[[(2R,3S,4R,5R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl]pyrrolidin-2-one
Molecular FormulaC20H35NO11
Molecular Weight465.5
XLogP-3.1
Topological Polar Surface Area190
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity651
SMILES
CC(C)C[C@@H]1CC(=O)N(C1)C[C@@]2([C@H]([C@@H]([C@@H](CO2)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O
InChI
InChI=1S/C20H35NO11/c1-9(2)3-10-4-13(24)21(5-10)8-20(29)18(28)17(11(23)7-30-20)32-19-16(27)15(26)14(25)12(6-22)31-19/h9-12,14-19,22-23,25-29H,3-8H2,1-2H3/t10-,11-,12-,14+,15+,16-,17-,18+,19+,20-/m1/s1
InChIKey
XDWMEMJQXHTKBB-RTAYJYCWSA-N
Chemical Structure
2D Structure
2D structure of (4R)-4-(2-methylpropyl)-1-[[(2R,3S,4R,5R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl]pyrrolidin-2-one
CAS: 501666-24-6
CID: 172641618
Formula: C20H35NO11
MW: 465.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.5
XLogP3-3.1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass465.22101093
Monoisotopic Mass465.22101093
Topological Polar Surface Area190 Ų
Heavy Atom Count32
Formal Charge0
Complexity651
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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