Cas no 53758-27-3 (Octadecanoic 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-(2a,3b,3ab,9ab)]- (9CI))

Octadecanoic 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-(2a,3b,3ab,9ab)]- (9CI) structure
53758-27-3 structure
Product Name:Octadecanoic 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-(2a,3b,3ab,9ab)]- (9CI)
CAS No:53758-27-3
MF:C27H45N3O5
MW:491.663307905197
CID:386014
PubChem ID:430746
Update Time:2025-04-19

Octadecanoic 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-(2a,3b,3ab,9ab)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Octadecanoic 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-(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] octadecanoate
    • NSC281721
    • Octadecanoic acid,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.))- (MF1)
    • 53758-27-3
    • NSC-281721
    • DTXSID40330595
    • Inchi： 1S/C27H45N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(32)34-24-21(20-31)33-26-25(24)35-27-29-22(28)18-19-30(26)27/h18-19,21,24-26,28,31H,2-17,20H2,1H3
    • InChI Key： QZOQAMJDLIAKHT-UHFFFAOYSA-N
    • SMILES： O1C(CO)C(C2C1N1C=CC(=N)N=C1O2)OC(CCCCCCCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 491.33615
  • Monoisotopic Mass: 491.33592154g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 19
  • Complexity: 726
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.1
  • Topological Polar Surface Area: 104?2

Experimental Properties

  • PSA: 104.44

Octadecanoic 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-(2a,3b,3ab,9ab)]- (9CI) Related Literature

53758-27-3 (Octadecanoic 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-(2a,3b,3ab,9ab)]- (9CI)) Related Products

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