128719-90-4
Product Name:
7-[(1S,2R,3R,4R)-3-[(1E,3R)-3-HYDROXY-4-(4-IODOPHENOXY)-1-BUTENYL]-7-OXABICYCLO[2.2.1]HEPT-2-YL]-5Z-HEPTENOIC ACID
Formula:
C23H29IO5
Synonyms:
(5Z)-7-[(1S,2R,3R,4R)-3-[(1E,3R)-3-Hydroxy-4-(4-iodophenoxy)-1-buten-1-yl]-7-oxabicyclo[2.2.1]hept-2-yl]-5-heptenoic acid
Inquiry
SAFETY INFORMATION
Signal word | Danger |
---|---|
Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H225:Flammable liquids H319:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
Molecular Weight | 512.4 g/mol |
---|---|
XLogP3 | 4 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 11 |
Exact Mass | 512.10597 g/mol |
Monoisotopic Mass | 512.10597 g/mol |
Topological Polar Surface Area | 76 Ų |
Heavy Atom Count | 29 |
Formal Charge | 0 |
Complexity | 570 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 5 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 2 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |