Cas no 55062-63-0 (4-amino-1-(5-O-ethyl-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one)

4-amino-1-(5-O-ethyl-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one structure
55062-63-0 structure
Product Name:4-amino-1-(5-O-ethyl-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one
CAS No:55062-63-0
MF:C11H17N3O5
MW:271.269782781601
CID:1592840
PubChem ID:3036588
Update Time:2025-04-21

4-amino-1-(5-O-ethyl-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one Chemical and Physical Properties

Names and Identifiers

    • 4-amino-1-(5-O-ethyl-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one
    • 4-amino-1-[(2R,3S,4S,5R)-5-(ethoxymethyl)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
    • 2(1H)-pyrimidinone, 4-amino-1-(5-O-ethyl-b-D-arabinofuranosyl)-
    • 55062-63-0
    • 1(1H)-Pyrimidinone, 4-amino-1-(5-O-ethyl-beta-D-arabinofuranosyl)-
    • 4-amino-1-[(2R,3S,4S,5R)-5-(ethoxymethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]pyrimidin-2-one
    • 4-Amino-1-(5-O-ethyl-beta-D-arabinofuranosyl)-1(1H)-pyrimidinone
    • DTXSID00203599
    • 5'-O-Ethyl cytosine arabinoside
    • Inchi: 1S/C11H17N3O5/c1-2-18-5-6-8(15)9(16)10(19-6)14-4-3-7(12)13-11(14)17/h3-4,6,8-10,15-16H,2,5H2,1H3,(H2,12,13,17)/t6-,8-,9+,10-/m1/s1
    • InChI Key: QOKRAJPMALOJNQ-SFKDOBOXSA-N
    • SMILES: O1[C@H]([C@H]([C@@H]([C@H]1COCC)O)O)N1C(N=C(C=C1)N)=O

Computed Properties

  • Exact Mass: 271.117
  • Monoisotopic Mass: 271.117
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 411
  • 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: _1.4
  • Topological Polar Surface Area: 118?2

Experimental Properties

  • Density: 1.6
  • Boiling Point: 505.1°C at 760 mmHg
  • Flash Point: 259.3°C
  • Refractive Index: 1.657
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