Rutin

Rutin
Compound Structure:
Synonyms: RUTIN ;153-18-4;rutoside ;Phytomelin; Birutan
Compound ID: NMPC-1455
PubChem ID:

5280805

Molecular Formula: C27H30O16
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
InChIKey: IKGXIBQEEMLURG-NVPNHPEKSA-N
About the compound:

Rutin (rutoside, quercetin-3-O-rutinoside or sophorin) is the glycoside combining the flavonolquercetin and the disaccharide rutinose (α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranose). It is a flavonoid glycoside found in a wide variety of plants, including citrus.

GHS Hazard Statements

H315 (90.91%): Causes skin irritation [Warning Skin corrosion/irritation]

H319 (90.91%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H335 (93.18%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

610.5 g/mol

XLogP3-AA

-1.3

Hydrogen Bond Donor Count

10

Hydrogen Bond Acceptor Count

16

Rotatable Bond Count

6

Exact Mass

610.15338487 g/mol

Monoisotopic Mass

610.15338487 g/mol

Topological Polar Surface Area

266Ų

Heavy Atom Count

43

Formal Charge

0

Complexity

1020

Isotope Atom Count

0

Defined Atom Stereocenter Count

10

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Solid

Boiling Point

125°C

Source: PubChem           

Source Species: Alstonia boonei
Annona senegalensis
Ficus capensis
Raphia hookeri
Senna alata
Solanum aethiopicum
Ziziphus mucronata Willd
Pavetta crassipes
Cissus ibuensis
Psychotria microphylla
Ficus thonningii
Talinum triangulare
Download SDF