304444-49-3
Product Name:
3-(6-AMINO-9 H-PURIN-8-YLSULFANYL)-PROPIONIC ACID
Formula:
C8H9N5O2S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >35.9 [ug/mL] (The mean of the results at pH 7.4) |
|---|
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H228:Flammable solids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. P370+P378:In case of fire: Use … for extinction. |
COMPUTED DESCRIPTORS
| Molecular Weight | 239.26 g/mol |
|---|---|
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 239.04769572 g/mol |
| Monoisotopic Mass | 239.04769572 g/mol |
| Topological Polar Surface Area | 143 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 267 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |