Cas no 14433-47-7 (2(1H)-Pyrimidinone,4-amino-1-(3-O-phosphono-b-D-arabinofuranosyl)-)

2(1H)-Pyrimidinone,4-amino-1-(3-O-phosphono-b-D-arabinofuranosyl)- structure
14433-47-7 structure
Product Name:2(1H)-Pyrimidinone,4-amino-1-(3-O-phosphono-b-D-arabinofuranosyl)-
CAS No:14433-47-7
MF:C9H14N3O8P
MW:323.196523189545
CID:166368
PubChem ID:256622
Update Time:2025-04-19

2(1H)-Pyrimidinone,4-amino-1-(3-O-phosphono-b-D-arabinofuranosyl)- Chemical and Physical Properties

Names and Identifiers

    • 2(1H)-Pyrimidinone,4-amino-1-(3-O-phosphono-b-D-arabinofuranosyl)-
    • [5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
    • [3']cytidylic acid
    • 4-amino-1-(3-o-phosphonopentofuranosyl)pyrimidin-2(1h)-one
    • AC1L5V0F
    • ACMC-20albo
    • AR-1G0456
    • Aracytidine 3'-monophosphate
    • Cytidine-3'-Monophosphate
    • Cytidylsaeure b
    • SureCN3608348
    • CERAPP_26425
    • Cytosine, 3'-(dihydrogen phosphate)
    • SCHEMBL3608348
    • NSC-127075
    • 2(1H)-Pyrimidinone, 4-amino-1-(3-O-phosphono-.beta.-D-arabinofuranosyl)-
    • 5-(4-AMINO-2-OXOPYRIMIDIN-1(2H)-YL)-4-HYDROXY-2-(HYDROXYMETHYL)TETRAHYDROFURAN-3-YL DIHYDROGEN PHOSPHATE
    • FT-0624319
    • DTXSID30292557
    • DTXSID20861655
    • 14433-47-7
    • NSC127075
    • Inchi: 1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)
    • InChI Key: UOOOPKANIPLQPU-UHFFFAOYSA-N
    • SMILES: P(=O)(O)(O)OC1C(CO)OC(C1O)N1C(N=C(C=C1)N)=O

Computed Properties

  • Exact Mass: 323.05192
  • Monoisotopic Mass: 323.052
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 531
  • 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: _3.8
  • Topological Polar Surface Area: 175A^2

Experimental Properties

  • Density: 2.15
  • Boiling Point: 693.7°C at 760 mmHg
  • Flash Point: 373.4°C
  • Refractive Index: 1.774
  • PSA: 175.14
  • LogP: -1.86480
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