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3a,4b-Galactotriose

CAT: 0024-sc-283972Size: 1 mgDry Ice: NoHazardous: No
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CAS Number
56038-36-9

Chemical Information

alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-Gal

Alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-Gal is a galactotriose in which the three D-galactosyl residues are connected via sequential alpha-(13)- and beta-(14)-linkages.

CAS Number56038-36-9
PubChem CID46878601
IUPAC Name(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC18H32O16
Molecular Weight504.4
XLogP-6.3
Topological Polar Surface Area269
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity641
SMILES
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O)O
InChI
InChI=1S/C18H32O16/c19-1-4-7(22)9(24)12(27)17(31-4)34-15-8(23)5(2-20)32-18(13(15)28)33-14-6(3-21)30-16(29)11(26)10(14)25/h4-29H,1-3H2/t4-,5-,6-,7+,8+,9+,10-,11-,12-,13-,14+,15+,16?,17-,18+/m1/s1
InChIKey
ODDPRQJTYDIWJU-RXOJRZLOSA-N
Chemical Structure
2D Structure
2D structure of alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-Gal
CAS: 56038-36-9
CID: 46878601
Formula: C18H32O16
MW: 504.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.4
XLogP3-6.3
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Exact Mass504.16903493
Monoisotopic Mass504.16903493
Topological Polar Surface Area269 Ų
Heavy Atom Count34
Formal Charge0
Complexity641
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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