HARIBOSS

Harnessing RIBOnucleic acid – Small molecules Structures


Compound 6MN

Identifiers

  • Canonical SMILES:
    N[C@@H]1[C@@H](O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
  • IUPAC name:
    2-amino-2-deoxy-6-O-phosphono-alpha-D-mannopyranose
  • InChi:
    InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3+,4-,5-,6+/m1/s1
  • InChiKey:
    XHMJOUIAFHJHBW-RXRWUWDJSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links


44246482

RNA-SM complexes

PDB code Deposition date Reference publication
3g96 Feb. 12, 2009 Cochrane Jesse C., Lipchock Sarah V., Smith Kathryn D., Strobel Scott A.. . Structural and Chemical Basis for Glucosamine 6-Phosphate Binding and Activation of the <i>glmS</i> Ribozyme Biochemistry

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 259.05 g/mol
HBA 7
HBD 6
HBA + HBD
AlogP -3.14
TPSA 162.70
RB 3

Radar chart