Cas no 27477-69-6 (Bracurd)

Bracurd structure
Bracurd structure
Product Name:Bracurd
CAS No:27477-69-6
MF:C11H13BrN2O7
MW:365.134122610092
CID:260277
PubChem ID:3082267
Update Time:2025-04-19

Bracurd Chemical and Physical Properties

Names and Identifiers

    • Bracurd
    • [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2-bromoacetate
    • 27477-69-6
    • Uridine, 2'(or 3')-(bromoacetate)
    • 2'(3')-O-Bromoacetyluridine
    • DTXSID40181903
    • Inchi: 1S/C11H13BrN2O7/c12-3-7(16)20-4-5-8(17)9(18)10(21-5)14-2-1-6(15)13-11(14)19/h1-2,5,8-10,17-18H,3-4H2,(H,13,15,19)/t5-,8-,9-,10-/m1/s1
    • InChI Key: JOPWEGRFZNWWMQ-UUOKUNOPSA-N
    • SMILES: BrCC(=O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=CC(NC2=O)=O)O1)O)O

Computed Properties

  • Exact Mass: 363.99059
  • Monoisotopic Mass: 363.991
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 5
  • Complexity: 483
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _1.2
  • Topological Polar Surface Area: 125?2

Experimental Properties

  • Density: 1.844
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.624
  • PSA: 125.4
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