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3'-Galactosyllactose

CAT: 0926-OG15069-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-OG15069-02Size:10 mg
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CAS Number
32694-82-9
Synonyms
4-O- (3-O-b-D-Galactopyranosyl) -b-D-galactopyranosyl-D-glucopyranose; b-D-Gal- (1→3) -b-D-Gal- (1→4) -D-Glc
Smiles
OCC1O[C@@H] (O[C@H]2[C@@H] (O) C (CO) O[C@@H] (O[C@H]3[C@H] (O) C (O) C (O) OC3CO) C2O) C (O) [C@@H] (O) [C@H]1O
Molecular Formula
C18H32O16
Molecular Weight
504.44 g/mol
Controlled
No

Chemical Information

3'-Galactosyllactose

4-beta-Laminaribiosylglucose is an oligosaccharide.

CAS Number32694-82-9
PubChem CID189088
IUPAC Name(2R,3R,4R,5R)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
Molecular FormulaC18H32O16
Molecular Weight504.4
XLogP-6.6
Topological Polar Surface Area277
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Heavy Atom Count34
Formal Charge0
Complexity625
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]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O)O)O)O
InChI
InChI=1S/C18H32O16/c19-1-5(23)9(25)15(6(24)2-20)33-18-14(30)16(11(27)8(4-22)32-18)34-17-13(29)12(28)10(26)7(3-21)31-17/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10-,11-,12-,13+,14+,15+,16-,17-,18-/m0/s1
InChIKey
KZZUYHVLNLDKLB-KZCWKWOXSA-N
Chemical Structure
2D Structure
2D structure of 3'-Galactosyllactose
CAS: 32694-82-9
CID: 189088
Formula: C18H32O16
MW: 504.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.4
XLogP3-6.6
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Exact Mass504.16903493
Monoisotopic Mass504.16903493
Topological Polar Surface Area277 Ų
Heavy Atom Count34
Formal Charge0
Complexity625
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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