Cas no 53758-26-2 (Tetradecanoicacid,2,3,3a,9a-tetrahydro-2-(hydroxymethyl)-6-imino-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-3-ylester, monohydrochloride, [2R-(2a,3b,3ab,9ab)]- (9CI))

Tetradecanoicacid,2,3,3a,9a-tetrahydro-2-(hydroxymethyl)-6-imino-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-3-ylester, monohydrochloride, [2R-(2a,3b,3ab,9ab)]- (9CI) structure
53758-26-2 structure
Product Name:Tetradecanoicacid,2,3,3a,9a-tetrahydro-2-(hydroxymethyl)-6-imino-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-3-ylester, monohydrochloride, [2R-(2a,3b,3ab,9ab)]- (9CI)
CAS No:53758-26-2
MF:C23H38ClN3O5
MW:472.017925739288
CID:385448
PubChem ID:90677712
Update Time:2025-04-19

Tetradecanoicacid,2,3,3a,9a-tetrahydro-2-(hydroxymethyl)-6-imino-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-3-ylester, monohydrochloride, [2R-(2a,3b,3ab,9ab)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Tetradecanoicacid,2,3,3a,9a-tetrahydro-2-(hydroxymethyl)-6-imino-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-3-ylester, monohydrochloride, [2R-(2a,3b,3ab,9ab)]- (9CI)
    • [2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[1,2][1,3]oxazolo[3,4-a]pyrimidin-3-yl] tetradecanoate
    • Tetradecanoicacid,2,3,3a,9a-tetrahydro-2-(hydroxymethyl)-6-imino-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-3-ylester, monohyd
    • NSC281720
    • NSC-281720
    • CHEMBL3272833
    • 53758-26-2
    • TETRADECANOIC ACID, 2,3,3A,9A-TETRAHYDRO-2-(HYDROXYMETHYL)-6-IMINO-6H-FURO(2',3':4,5)OXAZOLO(3,2-A)PYRIMIDIN-3-YL ESTER, MONOHYDROCHLORIDE, (2R-(2.ALPHA.,3.BETA.,3A.BETA.,9A.BETA.))-
    • UNII-0T9613W9DU
    • 3'-Myristoylancitabine hydrochloride
    • Q27237225
    • Tetradecanoic acid, 2,3,3a,9a-tetrahydro-2-(hydroxymethyl)-6-imino-6H-furo(2',3':4,5)oxazolo(3,2-a)pyrimidin-3-yl ester, monohydrochloride, (2R-(2alpha,3beta,3abeta,9abeta))-
    • Ancitabine, 3'-myristoyl hydrochloride
    • 0T9613W9DU
    • Inchi： 1S/C23H37N3O5.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(28)30-20-17(16-27)29-22-21(20)31-23-25-18(24)14-15-26(22)23;/h14-15,17,20-22,24,27H,2-13,16H2,1H3;1H/t17-,20-,21+,22-;/m1./s1
    • InChI Key： MYIABUQNJXGQLW-WIWCRTCKSA-N
    • SMILES： Cl.O1[C@H](CO)[C@H]([C@H]2[C@@H]1N1C=CC(=N)N=C1O2)OC(CCCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 435.27351
  • Monoisotopic Mass: 471.2499990g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 15
  • Complexity: 666
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 104?2

Experimental Properties

  • PSA: 104.44
  • LogP: 3.72590

Tetradecanoicacid,2,3,3a,9a-tetrahydro-2-(hydroxymethyl)-6-imino-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-3-ylester, monohydrochloride, [2R-(2a,3b,3ab,9ab)]- (9CI) Related Literature

53758-26-2 (Tetradecanoicacid,2,3,3a,9a-tetrahydro-2-(hydroxymethyl)-6-imino-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-3-ylester, monohydrochloride, [2R-(2a,3b,3ab,9ab)]- (9CI)) Related Products

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