ST057726 Rhein

MW: 284.22

CAS: 478-43-3

MDL: MFCD00009618

TNP: TNP00512

9,10-dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylicaci; 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-2-anthroicaci; chrysazin-3-carboxylicacid; monorhein; rheicacid; RHUBARB EXTRACT; RHUBARB YELLOW; RHEIN

LogP: -1.7

LogS: -2.76

Acceptors: 6

Donors: 3

Rotation Bonds: 4

Chiral Centers: 0

N+O: 6

LIPINSKY: 4

IUPAC: 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid

Smiles: c12C(c3c(cc(cc3O)C(=O)O)C(=O)c1cccc2O)=O

SOURCE: Found in Rheum spp, Polygonaceae and in Senna leaves

Specification: Anthraquinones, Hydroquinones and Quinones; Aromatics Compounds; Improve Organism Immunity; The group of Polydatin; Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals; Isotope Labeled Compounds Rhein Chemical Properties:

mp =300 C(lit.) storage temp. 2-8C Water Solubility <0.1 g/100 mL at 17

Chemical Compounds - Natural Compounds