Products for Research Use Only
RegisterLogin

Rutin trihydrate

CAT: 0862-GW5081-5gSize: 5 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0862-GW5081-5gSize:5 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
250249-75-3
EC Number
205-814-1
HS Code
29381000
Purity
95.00%
Molecular Formula
C27H30O16.3H2O
Molecular Weight
664.58
Storage Conditions
+4°C
Hazardous Class
Not hazardous

Chemical Information

Rutin trihydrate
CAS Number250249-75-3
PubChem CID16218542
IUPAC Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;trihydrate
Molecular FormulaC27H36O19
Molecular Weight664.6
Topological Polar Surface Area269
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count19
Rotatable Bond Count6
Heavy Atom Count46
Formal Charge0
Complexity1020
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)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.O.O.O
InChI
InChI=1S/C27H30O16.3H2O/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9;;;/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3;3*1H2/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-;;;/m0.../s1
InChIKey
NLLBWFFSGHKUSY-JPRRWYCFSA-N
Chemical Structure
2D Structure
2D structure of Rutin trihydrate
CAS: 250249-75-3
CID: 16218542
Formula: C27H36O19
MW: 664.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight664.6
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count19
Rotatable Bond Count6
Exact Mass664.18507891
Monoisotopic Mass664.18507891
Topological Polar Surface Area269 Ų
Heavy Atom Count46
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

Related Products

CatalogName
GC4239-100gRutin hydrate
GC4239-25gRutin hydrate
GC4239-250gRutin hydrate
GA2117-25gAmpicillin trihydrate
GA2558-250mgCefixime trihydrate
GA2558-1gCefixime trihydrate
GP7412-100mgMeropenem trihydrate
GA2117-100gAmpicillin trihydrate
GP7412-500mgMeropenem trihydrate
GP7412-1gMeropenem trihydrate

Alternative Products

CatalogName
HY-W013075-01Rutin (trihydrate)
sc-204897Rutin trihydrate
02268 00025Rutin trihydrate For Biochemistry
HY-W013075RRutin (trihydrate) (Standard)
18325-01Rutin Trihydrate pure, 95%
R03050-01Rutin Trihydrate Mixture of Isomers
N1833-100Rutin

Popular Products