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D (+) -Raffinose (pentahydrate)

CAT: 0804-HY-N1938-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0804-HY-N1938-01Size:5 g
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Description
D (+) -Raffinose pentahydrate is an orally active inhibitor of LecA (Kd = 32 μM) and GtfC. D (+) -Raffinose pentahydrate reduces cyclic diguanylate (c-di-GMP) by increased activity of a c-di-GMP specific phosphodiesterase. D (+) -Raffinose pentahydrate interferes with GTF function. D (+) -Raffinose pentahydrate decreases IL-4 and IL-5 mRNA. D (+) -Raffinose pentahydrate exhibits biofilm-inhibitory activity against Pseudomonas aeruginosa and Streptococcus mutans and inhibits allergic airway eosinophilia[1][2][3].
CAS Number
17629-30-0
Product Name Alternative
D-Raffinose (pentahydrate)
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Bacterial; Endogenous Metabolite; Glucosylceramide Synthase (GCS) ; Interleukin Related; Phosphodiesterase (PDE)
Type
Natural Products
Related Pathways
Anti-infection; Immunology/Inflammation; Metabolic Enzyme/Protease; Neuronal Signaling
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Infection; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/D__addition__-Raffinose_pentahydrate.html
Purity
98.0
Solubility
DMSO : ≥ 100 mg/mL
Smiles
OC[C@]1(O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@H]([C@@H]([C@@H](O)[C@@H]2O)O)O[C@@H]2CO[C@H]([C@@H]([C@@H](O)[C@H]3O)O)O[C@@H]3CO.O.O.O.O.O
Molecular Formula
C18H42O21
Molecular Weight
594.51
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
IL-4; IL-5

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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