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2D Structure
Also known as: Chembl2220482, Db15080
Molecular Formula
C19H38N4O10
Molecular Weight
482.5  g/mol
InChI Key
KJBRSTPUILEBDR-YBNFDXCTSA-N

ELX-02 is under investigation in clinical trial NCT03309605 (Phase 1 Study of ELX-02 in Healthy Adult Subjects).
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R,3S,4R,5R,6S)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-5-[(1R)-1-aminoethyl]-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxy-2-[(1R)-1-hydroxyethyl]oxane-3,4-diol
2.1.2 InChI
InChI=1S/C19H38N4O10/c1-4(20)14-12(28)13(29)19(30-14)33-17-9(25)6(21)3-7(22)16(17)32-18-8(23)10(26)11(27)15(31-18)5(2)24/h4-19,24-29H,3,20-23H2,1-2H3/t4-,5-,6-,7+,8-,9+,10-,11+,12+,13-,14-,15-,16-,17-,18-,19+/m1/s1
2.1.3 InChI Key
KJBRSTPUILEBDR-YBNFDXCTSA-N
2.1.4 Canonical SMILES
CC(C1C(C(C(O1)OC2C(C(CC(C2OC3C(C(C(C(O3)C(C)O)O)O)N)N)N)O)O)O)N
2.1.5 Isomeric SMILES
C[C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](C[C@@H]([C@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)[C@@H](C)O)O)O)N)N)N)O)O)O)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Chembl2220482

2. Db15080

2.3 Create Date
2013-05-30
3 Chemical and Physical Properties
Molecular Weight 482.5 g/mol
Molecular Formula C19H38N4O10
XLogP3-5.5
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Exact Mass482.25879342 g/mol
Monoisotopic Mass482.25879342 g/mol
Topological Polar Surface Area262 Ų
Heavy Atom Count33
Formal Charge0
Complexity652
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1