Cas no 120667-07-4 (Pyrimido[1,2-a]purin-10(3H)-one,3-(2-deoxy-b-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-)

Pyrimido[1,2-a]purin-10(3H)-one,3-(2-deoxy-b-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro- structure
120667-07-4 structure
Product Name:Pyrimido[1,2-a]purin-10(3H)-one,3-(2-deoxy-b-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-
CAS No:120667-07-4
MF:C13H17N5O4
MW:307.305182218552
CID:199899
PubChem ID:107870
Update Time:2025-04-19

Pyrimido[1,2-a]purin-10(3H)-one,3-(2-deoxy-b-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro- Chemical and Physical Properties

Names and Identifiers

    • Pyrimido[1,2-a]purin-10(3H)-one,3-(2-deoxy-b-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-
    • 1,N(2)-propanodeoxyguanosine
    • 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
    • 3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one
    • 3-(2-Deoxy-beta-D-erythro-pentofuranosyl)-5,6,7,8-tetrahydropyrimido(1,2-a)purin-10(3H)-one
    • Pyrimido(1,2-a)purin-10(3H)-one, 3-(2-deoxy-beta-D-erythro-pentofuranosyl)-5,6,7,8-tetrahydro-
    • Propanodeoxyguanosine
    • 2,1-(Iminopropano)-9-(2-deoxy-β-D-erythro-pentofuranosyl)-1H-purin-6(9H)-one
    • 3-(2-Deoxy-β-D-ribofuranosyl)-3,5,6,7,8,10-hexahydro-10-oxopyrimido[1,2-a]purine
    • 5,6,7,8-Tetrahydro-3-(2-deoxy-β-D-erythro-pentofuranosyl)pyrimido[1,2-a]purin-10(3H)-one
    • 3-(2-Deoxy-β-D-erythro-pentofuranosyl)-5,6,7,8-tetrahydro-1,3,4,5,8a-pentaaza-8aH-benzo[f]indene-9(3H)-one
    • UNII-2L6Y9J6X5R
    • 2L6Y9J6X5R
    • SCHEMBL2679724
    • Pyrimido[1,2-a]purin-10(3H)-one, 3-(2-deoxy-b-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-
    • CHEBI:192114
    • 1,n2-propano-2'-deoxyguanosine
    • 1,N2-Propano-dG
    • 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
    • 120667-07-4
    • DTXSID20152959
    • 1,n2-propanodeoxyguanosine
    • Inchi： 1S/C13H17N5O4/c19-5-8-7(20)4-9(22-8)18-6-15-10-11(18)16-13-14-2-1-3-17(13)12(10)21/h6-9,19-20H,1-5H2,(H,14,16)/t7-,8+,9+/m0/s1
    • InChI Key： HGYWFMCWAWUWRE-DJLDLDEBSA-N
    • SMILES： O1[C@H](CO)[C@H](C[C@@H]1N1C=NC2C(N3C(NCCC3)=NC1=2)=O)O

Computed Properties

  • Exact Mass: 307.12821
  • Monoisotopic Mass: 307.128054
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 2
  • Complexity: 501
  • 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: _1.7
  • Topological Polar Surface Area: 112

Experimental Properties

  • Density: 1.89
  • Boiling Point: 683.2°C at 760 mmHg
  • Flash Point: 367°C
  • Refractive Index: 1.865
  • PSA: 112.21

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Purity:97%
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(CAS:120667-07-4)1,N-Propano-2'-deoxyguanosine
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