Cas no 53758-33-1 (Dodecanoic acid,[2,3,3a,9a-tetrahydro-6-imino-3-[(1-oxododecyl)oxy]-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-2-yl]methylester, monohydrochloride, [2R-(2a,3b,3ab,9ab)]- (9CI))

Dodecanoic acid,[2,3,3a,9a-tetrahydro-6-imino-3-[(1-oxododecyl)oxy]-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-2-yl]methylester, monohydrochloride, [2R-(2a,3b,3ab,9ab)]- (9CI) structure
53758-33-1 structure
Product Name:Dodecanoic acid,[2,3,3a,9a-tetrahydro-6-imino-3-[(1-oxododecyl)oxy]-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-2-yl]methylester, monohydrochloride, [2R-(2a,3b,3ab,9ab)]- (9CI)
CAS No:53758-33-1
MF:C33H55N3O6
MW:589.806309938431
CID:380861
PubChem ID:430748
Update Time:2025-04-19

Dodecanoic acid,[2,3,3a,9a-tetrahydro-6-imino-3-[(1-oxododecyl)oxy]-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-2-yl]methylester, monohydrochloride, [2R-(2a,3b,3ab,9ab)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Dodecanoic acid,[2,3,3a,9a-tetrahydro-6-imino-3-[(1-oxododecyl)oxy]-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-2-yl]methylester, monohydrochloride, [2R-(2a,3b,3ab,9ab)]- (9CI)
    • (3-dodecanoyloxy-6-imino-2,3,3a,9a-tetrahydrofuro[1,2][1,3]oxazolo[3,4-a]pyrimidin-2-yl)methyl dodecanoate
    • NSC281723
    • NSC-281723
    • Dodecanoic acid,3,3a,9a-tetrahydro-6-imino-3-[(1-oxododecyl)oxy]-6H-furo[2',3':4,5]-oxazolo[3,2-a]pyrimidin-2-yl]methyl ester, monohydrochloride, (2R-(2.alpha.,3.beta.,3a.beta.,9a.beta.))- (MF1)
    • DTXSID00330596
    • 53758-33-1
    • Inchi： 1S/C33H55N3O6/c1-3-5-7-9-11-13-15-17-19-21-28(37)39-25-26-30(31-32(40-26)36-24-23-27(34)35-33(36)42-31)41-29(38)22-20-18-16-14-12-10-8-6-4-2/h23-24,26,30-32,34H,3-22,25H2,1-2H3
    • InChI Key： ZDSNAYXGSXVZJV-UHFFFAOYSA-N
    • SMILES： O1C(COC(CCCCCCCCCCC)=O)C(C2C1N1C=CC(=N)N=C1O2)OC(CCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 589.40935
  • Monoisotopic Mass: 589.409
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 25
  • Complexity: 891
  • 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: 8.5
  • Topological Polar Surface Area: 111?2

Experimental Properties

  • Density: 1.16
  • Boiling Point: 637.4°C at 760 mmHg
  • Flash Point: 339.3°C
  • Refractive Index: 1.553
  • PSA: 110.51
  • LogP: 7.41750

Dodecanoic acid,[2,3,3a,9a-tetrahydro-6-imino-3-[(1-oxododecyl)oxy]-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-2-yl]methylester, monohydrochloride, [2R-(2a,3b,3ab,9ab)]- (9CI) Related Literature

53758-33-1 (Dodecanoic acid,[2,3,3a,9a-tetrahydro-6-imino-3-[(1-oxododecyl)oxy]-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-2-yl]methylester, monohydrochloride, [2R-(2a,3b,3ab,9ab)]- (9CI)) Related Products

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