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Home> Encyclopedia > Hot Product Listed 2   > 2,4(1H,3H)-Pyrimidinedione,5-[(acetyloxy)methyl]-
93635-76-8 structure

2,4(1H,3H)-Pyrimidinedione,5-[(acetyloxy)methyl]-

Iupac Name:ethyl (2S,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-2-methylpropanoate
CAS No.:93635-76-8
Molecular Weight:248.275
Molecular Formula:C10H7NO2 (isomer)
Names and Identifiers
Synonyms

(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl acetate 5-(hydroxymethyl)-uracil acetate AK394725 AKOS006277307 DTXSID90618476 HE074451 SCHEMBL2028863 Uracil,5-(hydroxymethyl)-, acetate (6CI) ZINC2573358

Inchi
InChI=1S/C11H20O6/c1-5-15-9(13)11(4,14)8(12)7-6-16-10(2,3)17-7/h7-8,12,14H,5-6H2,1-4H3/t7-,8-,11+/m1/s1
InChkey
BHCHXRCKXIVVCN-XLDPMVHQSA-N
Canonical Smiles
CCOC(=O)C(C)(C(C1COC(O1)(C)C)O)O
Properties
Density
1.592
Refractive Index
1.475
Flash Point
144.143 °C
HS Code
2932999099
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:248.275g/mol
  • Molecular Formula:C10H7NO2
  • Compound Is Canonicalized:True
  • Exact Mass:248.126
  • Monoisotopic Mass:248.126
  • Complexity:290
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:85.2A^2
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:3
  • 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: AAADceBwOAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAACAAADFSggAICCAAABgAI AACQCAIAAAAAAAAAAAFAAAAREBYAAAAiQAAFIAAHAADKJAgMAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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