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Nigerose

CAT: 0024-sc-286585BSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-286585BSize:25 mg
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CAS Number
497-48-3

Chemical Information

Nigerose

Nigerose is a glycosylglucose consisting of D-glucose with undefined anomeric stereochemistry and an alpha-D-glucosyl residue attached at the 3-position.

CAS Number497-48-3
PubChem CID439512
IUPAC Name(3R,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol
Molecular FormulaC12H22O11
Molecular Weight342.30
XLogP-4.2
Topological Polar Surface Area190
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity382
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](OC([C@@H]2O)O)CO)O)O)O)O)O
InChI
InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9-,10+,11?,12-/m1/s1
InChIKey
QIGJYVCQYDKYDW-NSYYTRPSSA-N
Chemical Structure
2D Structure
2D structure of Nigerose
CAS: 497-48-3
CID: 439512
Formula: C12H22O11
MW: 342.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.30
XLogP3-4.2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass342.11621151
Monoisotopic Mass342.11621151
Topological Polar Surface Area190 Ų
Heavy Atom Count23
Formal Charge0
Complexity382
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-4883864-Isothiocyanatophenyl α-Nigeroside
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CatalogName
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