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Alpha-Lactose

CAT: 1299-RM-L010301-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L010301-02Size:25 mg
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CAS Number
5989-81-1
Synonyms
(2S,3R,4R,5S,6R) -6- (hydroxymethyl) -5- (((2S,3R,4S,5R,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) tetrahydro-2H-pyran-2-yl) oxy) tetrahydro-2H-pyran-2,3,4-triol
Molecular Formula
C12H22O11
Molecular Weight
342.3
Target Alternative Name
Lactulose
Product Name Synonym
(2S,3R,4R,5S,6R) -6- (hydroxymethyl) -5- (((2S,3R,4S,5R,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) tetrahydro-2H-pyran-2-yl) oxy) tetrahydro-2H-pyran-2,3,4-triol

Chemical Information

alpha-Lactose monohydrate

Alpha-lactose monohydrate is a glycoside.

CAS Number5989-81-1
PubChem CID104938
IUPAC Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;hydrate
Molecular FormulaC12H24O12
Molecular Weight360.31
Topological Polar Surface Area191
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Heavy Atom Count24
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.O
InChI
InChI=1S/C12H22O11.H2O/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;1H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+;/m1./s1
InChIKey
WSVLPVUVIUVCRA-KPKNDVKVSA-N
Chemical Structure
2D Structure
2D structure of alpha-Lactose monohydrate
CAS: 5989-81-1
CID: 104938
Formula: C12H24O12
MW: 360.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight360.31
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass360.12677620
Monoisotopic Mass360.12677620
Topological Polar Surface Area191 Ų
Heavy Atom Count24
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 Count2
Compound Is CanonicalizedYes