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Home> Encyclopedia > Hot Product Listed 2   > 2,4(1H,3H)-Pyrimidinedione,1-(2-deoxy-2-fluoro-b-D-arabinofuranosyl)-5-(trimethylstannyl)-
81-64-1 structure

2,4(1H,3H)-Pyrimidinedione,1-(2-deoxy-2-fluoro-b-D-arabinofuranosyl)-5-(trimethylstannyl)-

Iupac Name:1,4-dihydroxyanthracene-9,10-dione
CAS No.:81-64-1
Molecular Weight:240.214
Molecular Formula:C10H16O4 (isomer)
Names and Identifiers
Synonyms

2,4(1H,3H)-PYRIMIDINEDIONE, 1(2-DEOXY-2-FLUORO-BETA-D-ARABINOFURANOSYL)-5-(TRIMETHYLSTANNYL)- 5-Trimethylstannyl-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)uracil 5-TRIMETHYLSTANNYL-1-(2-DEOXY-2-FLUORO-E-D-ARABINOFURANOSYL)URACIL FTAU

Inchi
InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H
InChkey
GUEIZVNYDFNHJU-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O
Properties
Density
1.84
Melting Point
191-193℃
Boiling Point
°Cat760mmHg
Refractive Index
1.732
Flash Point
145.8 °C
HS Code
2914610000
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
HazardClass
4.1
PackingGroup
II; III
Transport
HAZARD
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:240.214g/mol
  • Molecular Formula:C10H16O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.7
  • Exact Mass:240.042
  • Monoisotopic Mass:240.042
  • Complexity:342
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:74.6A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBQAAAGgAACAAADASAmAAwBoAAAgCI AqBSAAACAAAkIAAIiAEGCMgIJjaCFRKAcUAk4BEImYfLyPCOgQABAAAYAACCAAYAADAAAAAAAAAA AA==
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