Cas no 90029-85-9 (3-(3-oxoprop-2-enyl)thymidine)

3-(3-oxoprop-2-enyl)thymidine structure
3-(3-oxoprop-2-enyl)thymidine structure
Product Name:3-(3-oxoprop-2-enyl)thymidine
CAS No:90029-85-9
MF:C13H16N2O6
MW:296.275943756104
CID:994509
PubChem ID:13871382
Update Time:2025-04-20

3-(3-oxoprop-2-enyl)thymidine Chemical and Physical Properties

Names and Identifiers

    • 3-(3-oxoprop-2-enyl)thymidine
    • Thymidine, 3-(3-oxo-1-propenyl)-
    • 90029-85-9
    • (E)-3-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]prop-2-enal
    • BRN 5617849
    • 3-(3-Oxopropenyl)thymidine
    • SCHEMBL2056801
    • CHEMBL3143656
    • Inchi： 1S/C13H16N2O6/c1-8-6-15(11-5-9(18)10(7-17)21-11)13(20)14(12(8)19)3-2-4-16/h2-4,6,9-11,17-18H,5,7H2,1H3/b3-2+/t9-,10+,11+/m0/s1
    • InChI Key： KZCPJWRRJRMRMW-LZDJJOMISA-N
    • SMILES： O1[C@H](CO)[C@H](C[C@@H]1N1C(N(/C=C/C=O)C(C(C)=C1)=O)=O)O

Computed Properties

  • Exact Mass: 296.101
  • Monoisotopic Mass: 296.101
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 525
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _0.7
  • Topological Polar Surface Area: 107A^2

Experimental Properties

  • Density: 1.519
  • Boiling Point: 522.2°C at 760 mmHg
  • Flash Point: 269.6°C
  • Refractive Index: 1.66

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(CAS:90029-85-9)3-(3-Oxoprop-2-enyl)thymidine
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Quantity:10g
Purity:97%
Pricing Information Last Updated:Friday, 18 July 2025 16:01
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(CAS:90029-85-9)3-(3-Oxoprop-2-enyl)thymidine
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Purity:97%
Quantity:10g
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