Cas no 40732-65-8 ([(2R,4R,5R,6S)-5-Hydroxy-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-Hydroxy-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl 2,2-dimethylpropanoate structure
40732-65-8 structure
Product Name:[(2R,4R,5R,6S)-5-Hydroxy-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:40732-65-8
MF:C14H18N2O6
MW:310.302524089813
CID:2667745
Update Time:2023-08-06

[(2R,4R,5R,6S)-5-Hydroxy-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-3β-hydroxy-6-oxo-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-2α-yl]methyl ester
    • 2,2-Dimethylpropionic acid [(2R)-2,3,3abeta,9abeta-tetrahydro-3beta-hydroxy-6-oxo-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-2alpha-yl]methyl ester
    • [(2R,4R,5R,6S)-5-Hydroxy-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl
    • [(2R,4R,5R,6S)-5-Hydroxy-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/C14H18N2O6/c1-14(2,3)12(19)20-6-7-9(18)10-11(21-7)16-5-4-8(17)15-13(16)22-10/h4-5,7,9-11,18H,6H2,1-3H3/t7-,9-,10+,11-/m1/s1
    • InChI Key： GEJSCCDGMSRFPC-CZULRBLNSA-N
    • SMILES： O1[C@H](COC(C(C)(C)C)=O)[C@H]([C@H]2[C@@H]1N1C=CC(N=C1O2)=O)O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 564
  • XLogP3: -1
  • Topological Polar Surface Area: 97.7

[(2R,4R,5R,6S)-5-Hydroxy-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

40732-65-8 ([(2R,4R,5R,6S)-5-Hydroxy-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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