18483-17-5

Name 1,3,6-TRI-O-GALLOYL-B-D-GLUCOSE
CAS 18483-17-5
Molecular Formula C27H24O18
MDL Number MFCD06656305
Molecular Weight 636.47
MOL File 18483-17-5.mol

Chemical Properties

Melting point  167℃
Boiling point  1103.6±65.0 °C(Predicted)
density  1.98
storage temp.  -20°C
form  neat
pka 8.37±0.15(Predicted)
color  White to off-white
BRN  76215
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChIKey RNKMOGIPOMVCHO-SJMVAQJGSA-N
SMILES O=C(C1=CC(O)=C(O)C(O)=C1)O[C@H]2[C@H](O)[C@@H](OC(C3=CC(O)=C(O)C(O)=C3)=O)[C@H](O)[C@@H](COC(C4=CC(O)=C(O)C(O)=C4)=O)O2

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P305+P351+P338
WGK Germany  3
HS Code  29400090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

Supplier