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D- (+) -Raffinose pentahydrate

CAT: 0063-44163104Size: 100 gDry Ice: NoHazardous: No
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CAT#:0063-44163104Size:100 g
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CAS Number
17629-30-0

Chemical Information

Raffinose, pentahydrate

Raffinose Pentahydrate is an oligosaccharide.

CAS Number17629-30-0
PubChem CID2724100
IUPAC Name(2S,3R,4S,5R,6R)-2-[[(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]-6-(hydroxymethyl)oxane-3,4,5-triol;pentahydrate
Molecular FormulaC18H42O21
Molecular Weight594.5
Topological Polar Surface Area274
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count21
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity655
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)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O.O.O.O.O.O
InChI
InChI=1S/C18H32O16.5H2O/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18;;;;;/h5-17,19-29H,1-4H2;5*1H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+;;;;;/m1...../s1
InChIKey
BITMAWRCWSHCRW-PFQJHCPISA-N
Chemical Structure
2D Structure
2D structure of Raffinose, pentahydrate
CAS: 17629-30-0
CID: 2724100
Formula: C18H42O21
MW: 594.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight594.5
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count21
Rotatable Bond Count8
Exact Mass594.22185834
Monoisotopic Mass594.22185834
Topological Polar Surface Area274 Ų
Heavy Atom Count39
Formal Charge0
Complexity655
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count6
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
R00070-01Raffinose pentahydrate
RJ392Raffinose, pentahydrate
GC4633-100gD-Raffinose pentahydrate
sc-207473BD- (+) -Raffinose pentahydrate
TRC-R073000-50GD-(+)-Raffinose Pentahydrate
BUP19910D (+) -Raffinose pentahydrate
TC 018-01D-RAFFINOSE (Pentahydrate)
HY-N1938-01D (+) -Raffinose (pentahydrate)
JH178776D(+)-Raffinose pentahydrate

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