Cas no 38642-36-3 ([(2R,4R,5R,6S)-5-(2,2-Dimethylpropanoyloxy)-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl 2,2-dimethylpropanoate)

[(2R,4R,5R,6S)-5-(2,2-Dimethylpropanoyloxy)-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl 2,2-dimethylpropanoate structure
38642-36-3 structure
Product Name:[(2R,4R,5R,6S)-5-(2,2-Dimethylpropanoyloxy)-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl 2,2-dimethylpropanoate
CAS No:38642-36-3
MF:C19H26N2O7
MW:394.418945789337
CID:2666792
Update Time:2023-08-06

[(2R,4R,5R,6S)-5-(2,2-Dimethylpropanoyloxy)-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl 2,2-dimethylpropanoate Chemical and Physical Properties

Names and Identifiers

    • 2,2-Dimethylpropionic acid (2R)-2,3,3aβ,9aβ-tetrahydro-6-oxo-2α-[(pivaloyloxy)methyl]-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-3β-yl ester
    • 2,2-Dimethylpropionic acid (2R)-2,3,3abeta,9abeta-tetrahydro-6-oxo-2alpha-[(pivaloyloxy)methyl]-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-3beta-yl ester
    • [(2R,4R,5R,6S)-5-(2,2-Dimethylpropanoyloxy)-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,1
    • [(2R,4R,5R,6S)-5-(2,2-Dimethylpropanoyloxy)-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl 2,2-dimethylpropanoate
    • Inchi： 1S/C19H26N2O7/c1-18(2,3)15(23)25-9-10-12(27-16(24)19(4,5)6)13-14(26-10)21-8-7-11(22)20-17(21)28-13/h7-8,10,12-14H,9H2,1-6H3/t10-,12-,13+,14-/m1/s1
    • InChI Key： UBIJDGRJTLETKX-RUZUBIRVSA-N
    • SMILES： O1[C@H](COC(C(C)(C)C)=O)[C@H]([C@H]2[C@@H]1N1C=CC(N=C1O2)=O)OC(C(C)(C)C)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 7
  • Complexity: 744
  • XLogP3: 0.9
  • Topological Polar Surface Area: 104

[(2R,4R,5R,6S)-5-(2,2-Dimethylpropanoyloxy)-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl 2,2-dimethylpropanoate Related Literature

38642-36-3 ([(2R,4R,5R,6S)-5-(2,2-Dimethylpropanoyloxy)-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl 2,2-dimethylpropanoate) Related Products

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