remdesivir

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 106
Total Number of Articles : 195
PubChem 121304016
Molecular Formula

C27H35N6O8P

SMILES

CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@H]([C@H]([C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4

InChI

InChI=1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21+,23+,24+,27-,42-/m0/s1

synonyms
  • 1809249-37-3
  • 3QKI37EEHE
  • GS 5734
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Properties
Property Value
MW 602.6 g/mol
HBD 4
HBA 13
Rotatable Bond Count 14
Exact Mass 602.22539909 g/mol
Monoisotopic Mass 602.22539909 g/mol
Heavy Atom Count 42
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 1010
xlogp 1.9
Topological Polar Surface Area 204