147126-75-8

Product Name: [1R-[1(2S*,5R*),2beta,5alpha]]-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester

Formula: C18H26FN3O4S

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SAFETY INFORMATION COMPUTED DESCRIPTORS RELATED SUPPLIERS

SAFETY INFORMATION

Signal word	Warning
Pictogram(s)	Flame Over Circle Oxidizers GHS03 Exclamation Mark Irritant GHS07 Environment GHS09
GHS Hazard Statements	H272:Oxidising liquids;Oxidising solids H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes	P221:Take any precaution to avoid mixing with combustibles/… P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P330:Rinse mouth. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. 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. P403:Store in a well-ventilated place.

COMPUTED DESCRIPTORS

Molecular Weight	399.5 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	399.16280565 g/mol
Monoisotopic Mass	399.16280565 g/mol
Topological Polar Surface Area	120 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	669
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes