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Beta-Lactose

CAT: 0862-GC5831-250gSize: 250 gDry Ice: NoHazardous: No
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CAT#:0862-GC5831-250gSize:250 g
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CAS Number
5965-66-2
EC Number
227-751-9
MDL Number
MFCD00064521
HS Code
1702110000
Molecular Formula
C12H22O11
Molecular Weight
342.3
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

beta-Lactose

Beta-lactose is the beta-anomer of lactose.

CAS Number5965-66-2
PubChem CID6134
IUPAC Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
Molecular FormulaC12H22O11
Molecular Weight342.30
XLogP-4.7
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](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O
InChI
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
InChIKey
GUBGYTABKSRVRQ-DCSYEGIMSA-N
Chemical Structure
2D Structure
2D structure of beta-Lactose
CAS: 5965-66-2
CID: 6134
Formula: C12H22O11
MW: 342.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight342.30
XLogP3-4.7
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 Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes