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D- (+) -Raffinose pentahydrate

CAT: 1568-C14191Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C14191Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17629-30-0
SKU
C14191-25mg
Target
Others
Applications
Others
Smiles
C (C1C (C (C (C (O1) OCC2C (C (C (C (O2) OC3 (C (C (C (O3) CO) O) O) CO) O) O) O) O) O) O) O.O.O.O.O.O
Molecular Formula
C18H42O21
Additionnal Information
Raffinose is a trisaccharide composed of galactose, glucose, and fructose.
Storage Conditions
3 years -20°C powder

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
Loading 3D structure...
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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