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Maltotriose Monohydrate

CAT: 0024-sc-257689Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-257689Size:1 g
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CAS Number
207511-08-8

Chemical Information

alpha-D-Glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-D-glucopyranose--water (1/1)
CAS Number207511-08-8
PubChem CID16218586
IUPAC Name(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydrate
Molecular FormulaC18H34O17
Molecular Weight522.5
Topological Polar Surface Area270
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count17
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity641
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[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O.O
InChI
InChI=1S/C18H32O16.H2O/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24;/h4-29H,1-3H2;1H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-;/m1./s1
InChIKey
HNKASWRMLBJLKJ-HNNWOXMSSA-N
Chemical Structure
2D Structure
2D structure of alpha-D-Glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-D-glucopyranose--water (1/1)
CAS: 207511-08-8
CID: 16218586
Formula: C18H34O17
MW: 522.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight522.5
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count17
Rotatable Bond Count7
Exact Mass522.17959961
Monoisotopic Mass522.17959961
Topological Polar Surface Area270 Ų
Heavy Atom Count35
Formal Charge0
Complexity641
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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