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Melibiulose

CAT: 0926-OM32574-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-OM32574-01Size:1 mg
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CAS Number
111188-56-8
Synonyms
6-O- (a-D-Galactopyranosyl) -D-fructofuranose; (2R,3R,4S,5R,6S) -2- (Hydroxymethyl) -6-[[ (2R,3S,4S) -3,4,5-trihydroxy-5- (hydroxymethyl) tetr ahydrofuran-2-yl]methoxy]tetrahydropyran-3,4,5-triol
Smiles
C ([C@@H]1[C@@H] ([C@@H] ([C@H] ([C@H] (O1) OC[C@H] ([C@H] ([C@@H] (C (=O) CO) O) O) O) O) O) O) O
Molecular Formula
C12H22O11
Molecular Weight
342.3 g/mol
Controlled
No

Chemical Information

6-O-alpha-D-Galactopyranosyl-D-fructose

6-O-alpha-D-Galactopyranosyl-D-fructose is an O-acyl carbohydrate.

CAS Number111188-56-8
PubChem CID53297452
IUPAC Name(3S,4R,5R)-1,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one
Molecular FormulaC12H22O11
Molecular Weight342.30
XLogP-4.8
Topological Polar Surface Area197
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity378
SMILES
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h5-14,16-21H,1-3H2/t5-,6-,7-,8-,9+,10+,11-,12+/m1/s1
InChIKey
RJPPRBMGVWEZRR-IYDDCBTQSA-N
Chemical Structure
2D Structure
2D structure of 6-O-alpha-D-Galactopyranosyl-D-fructose
CAS: 111188-56-8
CID: 53297452
Formula: C12H22O11
MW: 342.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.30
XLogP3-4.8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass342.11621151
Monoisotopic Mass342.11621151
Topological Polar Surface Area197 Ų
Heavy Atom Count23
Formal Charge0
Complexity378
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
OM06702-01D-Melibiose monohydrate
OM02328-01D-Melibiose anhydrous

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