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Verbascose

CAT: 0926-OV13781-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-OV13781-02Size:50 mg
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CAS Number
546-62-3
Synonyms
β-D-Fructofuranosyl O-α-D-galactopyranosyl- (1-6) -O-α-D-galactopyranosyl- (1-6) -O-α-D-galactopyranosyl- (1-6) -α-D-glucopyranoside
MDL Number
MFCD03095487
Smiles
O ([C@]1 (CO) O[C@H] (CO) [C@@H] (O) [C@@H]1O) [C@H]2O[C@H] (CO[C@H]3O[C@H] (CO[C@H]4O[C@H] (CO[C@H]5O[C@H] (CO) [C@H] (O) [C@H] (O) [C@H]5O) [C@H] (O) [C@H] (O) [C@H]4O) [C@H] (O) [C@H] (O) [C@H]3O) [C@@H] (O) [C@H] (O) [C@H]2O
Molecular Formula
C30H52O26
Molecular Weight
828.72 g/mol
Controlled
No

Chemical Information

Verbascose

Verbascose is a pentasaccharide that is stachiose which has an additional unit of alpha-D-galactopyranose attached by a 16 glycosidic linkage to the terminal galactosyl residue. It is a pentasaccharide and a raffinose family oligosaccharide. It is functionally related to a stachyose.

CAS Number546-62-3
PubChem CID441434
IUPAC Name(2S,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6S)-6-[[(2R,3R,4S,5R,6S)-6-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC30H52O26
Molecular Weight828.7
XLogP-10.1
Topological Polar Surface Area427
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count26
Rotatable Bond Count14
Heavy Atom Count56
Formal Charge0
Complexity1220
SMILES
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)O[C@]5([C@H]([C@@H]([C@H](O5)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O)O)O)O
InChI
InChI=1S/C30H52O26/c31-1-7-12(34)17(39)21(43)26(51-7)48-3-9-13(35)18(40)22(44)27(52-9)49-4-10-14(36)19(41)23(45)28(53-10)50-5-11-15(37)20(42)24(46)29(54-11)56-30(6-33)25(47)16(38)8(2-32)55-30/h7-29,31-47H,1-6H2/t7-,8-,9-,10-,11-,12+,13+,14+,15-,16-,17+,18+,19+,20+,21-,22-,23-,24-,25+,26+,27+,28+,29-,30+/m1/s1
InChIKey
FLUADVWHMHPUCG-SWPIJASHSA-N
Chemical Structure
2D Structure
2D structure of Verbascose
CAS: 546-62-3
CID: 441434
Formula: C30H52O26
MW: 828.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight828.7
XLogP3-10.1
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count26
Rotatable Bond Count14
Exact Mass828.27468176
Monoisotopic Mass828.27468176
Topological Polar Surface Area427 Ų
Heavy Atom Count56
Formal Charge0
Complexity1220
Isotope Atom Count0
Defined Atom Stereocenter Count24
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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