Cas no 78647-50-4 (5'-N-ETHYLCARBOXAMIDO- ADENOSINE)

5'-N-ETHYLCARBOXAMIDO- ADENOSINE structure
78647-50-4 structure
Product Name:5'-N-ETHYLCARBOXAMIDO- ADENOSINE
CAS No:78647-50-4
MF:C12H16N6O4
MW:308.293241500854
CID:874761
PubChem ID:6610317
Update Time:2025-04-19

5'-N-ETHYLCARBOXAMIDO- ADENOSINE Chemical and Physical Properties

Names and Identifiers

    • 5'-N-ETHYLCARBOXAMIDO- ADENOSINE
    • 5'-N-ETHYLCARBOXAMIDOADENOSINE
    • 78647-50-4
    • (2R,3R,4S,5S)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
    • KBio3_000460
    • Bio2_000230
    • (2R,3R,4S,5S)-5-(6-Amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide
    • KBioGR_000230
    • Bio2_000710
    • KBio2_005366
    • KBio3_000459
    • HMS1361L12
    • IDI1_033980
    • KBio2_002798
    • (2R,3R,4S,5S)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
    • KBioSS_000230
    • KBio2_000230
    • Inchi: 1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m1/s1
    • InChI Key: JADDQZYHOWSFJD-ZWADGADFSA-N
    • SMILES: O1[C@@H](C(NCC)=O)[C@@H]([C@@H]([C@H]1N1C=NC2C(N)=NC=NC1=2)O)O

Computed Properties

  • Exact Mass: 308.12330301g/mol
  • Monoisotopic Mass: 308.12330301g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 3
  • Complexity: 426
  • 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: -0.7
  • Topological Polar Surface Area: 148?2

5'-N-ETHYLCARBOXAMIDO- ADENOSINE Security Information

  • Hazard Category Code: 28
  • Safety Instruction: 22-26-36-45
  • Hazardous Material Identification: T+
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