Cas no 111495-98-8 (3'-azido-3'-deoxy-3-[(1E)-3-oxoprop-1-en-1-yl]thymidine)

3'-azido-3'-deoxy-3-[(1E)-3-oxoprop-1-en-1-yl]thymidine structure
111495-98-8 structure
Product Name:3'-azido-3'-deoxy-3-[(1E)-3-oxoprop-1-en-1-yl]thymidine
CAS No:111495-98-8
MF:C13H15N5O5
MW:321.288702249527
CID:1198629
PubChem ID:6450947
Update Time:2025-04-20

3'-azido-3'-deoxy-3-[(1E)-3-oxoprop-1-en-1-yl]thymidine Chemical and Physical Properties

Names and Identifiers

    • 3'-azido-3'-deoxy-3-[(1E)-3-oxoprop-1-en-1-yl]thymidine
    • 111495-98-8
    • (E)-3-[3-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-2,6-dioxo-pyrimidin-1-yl]prop-2-enal
    • CHEMBL3392149
    • 3-(3-Oxo-1-propenyl)AZT
    • 3-(3-Oxo-1-propenyl)-3'-azido-3'-deoxythymidine
    • Inchi： 1S/C13H15N5O5/c1-8-6-18(13(22)17(12(8)21)3-2-4-19)11-5-9(15-16-14)10(7-20)23-11/h2-4,6,9-11,20H,5,7H2,1H3/b3-2+/t9-,10+,11+/m0/s1
    • InChI Key： CFFCZKKWUJQDFW-LZDJJOMISA-N
    • SMILES： O1[C@H](CO)[C@H](C[C@@H]1N1C(N(/C=C/C=O)C(C(C)=C1)=O)=O)N=[N+]=[N-]

Computed Properties

  • Exact Mass: 321.10745
  • Monoisotopic Mass: 321.10731860g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 5
  • Complexity: 624
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.2
  • Topological Polar Surface Area: 102?2

Experimental Properties

  • PSA: 135.91

3'-azido-3'-deoxy-3-[(1E)-3-oxoprop-1-en-1-yl]thymidine Suppliers

NewCan Biotech Limited
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(CAS:111495-98-8)3-(3-Oxo-1-Propenyl)-3'-Azido-3'-Deoxythymidine
Order Number:NC19385
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Quantity:10g
Purity:97%
Pricing Information Last Updated:Friday, 18 July 2025 16:19
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3'-azido-3'-deoxy-3-[(1E)-3-oxoprop-1-en-1-yl]thymidine Related Literature

111495-98-8 (3'-azido-3'-deoxy-3-[(1E)-3-oxoprop-1-en-1-yl]thymidine) Related Products

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NewCan Biotech Limited
(CAS:111495-98-8)3-(3-Oxo-1-Propenyl)-3'-Azido-3'-Deoxythymidine
NC19385
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Quantity:10g
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