Cas no 55528-48-8 (3'-deoxybutirosin A)

3'-deoxybutirosin A structure
3'-deoxybutirosin A structure
Product Name:3'-deoxybutirosin A
CAS No:55528-48-8
MF:C21H41N5O11
MW:539.577146291733
CID:944092
Update Time:2023-11-19

3'-deoxybutirosin A Chemical and Physical Properties

Names and Identifiers

    • 3'-deoxybutirosin A
    • D-Streptamine, O-2,6-diamino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl-(1-4)-O-(beta-D-xylofuranosyl-(1-5))-N1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-
    • CID 123131996
    • D-Streptamine, O-2,6-diamino-2,3,6-trideoxy-α-D-ribo-hexopyranosyl-(1→4)-O-[β-D-xylofuranosyl-(1→5)]-N1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)- (9CI)
    • Inchi： 1S/C21H41N5O11/c22-2-1-10(28)19(33)26-9-3-7(24)17(36-20-8(25)4-11(29)12(5-23)34-20)18(14(9)30)37-21-16(32)15(31)13(6-27)35-21/h7-18,20-21,27-32H,1-6,22-25H2,(H,26,33)/t7-,8+,9+,10-,11-,12+,13+,14-,15-,16+,17+,18+,20+,21-/m0/s1
    • InChI Key： UBDPTYWUITYXPX-AHTHHIITSA-N
    • SMILES： O([C@@H]1[C@@H](C[C@@H]([C@@H](CN)O1)O)N)[C@@H]1[C@H](C[C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H](CO)O1)O)O)O)NC([C@H](CCN)O)=O)N

Computed Properties

  • Hydrogen Bond Donor Count: 11
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 10
  • Complexity: 741
  • Topological Polar Surface Area: 292

3'-deoxybutirosin A Related Literature

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