Cas no 104532-13-0 (9H-Purin-6-amine,9-[1-[[1-[(triphenylmethoxy)methyl]ethenyl]oxy]ethenyl]-)

9H-Purin-6-amine,9-[1-[[1-[(triphenylmethoxy)methyl]ethenyl]oxy]ethenyl]- structure
104532-13-0 structure
Product Name:9H-Purin-6-amine,9-[1-[[1-[(triphenylmethoxy)methyl]ethenyl]oxy]ethenyl]-
CAS No:104532-13-0
MF:C11H14N5O8P
MW:375.23132276535
CID:142976
PubChem ID:5271250
Update Time:2025-04-19

9H-Purin-6-amine,9-[1-[[1-[(triphenylmethoxy)methyl]ethenyl]oxy]ethenyl]- Chemical and Physical Properties

Names and Identifiers

    • 9H-Purin-6-amine,9-[1-[[1-[(triphenylmethoxy)methyl]ethenyl]oxy]ethenyl]-
    • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]formic acid
    • DTXSID60146534
    • 104532-13-0
    • 9H-Purin-6-amine, 9-(5-O-(carboxyhydroxyphosphinyl)-beta-D-ribofuranosyl)-
    • 9H-Purin-6-amine, 9-[5-O-(carboxyhydroxyphosphinyl)-.beta.-D-ribofuranosyl]-
    • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]formic acid
    • Inchi: 1S/C11H14N5O8P/c12-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(24-10)1-23-25(21,22)11(19)20/h2-4,6-7,10,17-18H,1H2,(H,19,20)(H,21,22)(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
    • InChI Key: FDXVFANZEFUTLY-KQYNXXCUSA-N
    • SMILES: P(C(=O)O)(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O

Computed Properties

  • Exact Mass: 375.05812
  • Monoisotopic Mass: 375.05799942g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 5
  • Complexity: 569
  • 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: -3.2
  • Topological Polar Surface Area: 203?2

Experimental Properties

  • PSA: 203.14
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