(3S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(2-hydroxyethylamino)methyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide;2-[(1S,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxyazetidine-3-carboxamide

C90H173FN22O46 — CID 160764387

About (3S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(2-hydroxyethylamino)methyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide;2-[(1S,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxyazetidine-3-carboxamide

(3S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(2-hydroxyethylamino)methyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide;2-[(1S,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxyazetidine-3-carboxamide (PubChem CID 160764387) has the molecular formula C90H173FN22O46 and a molecular weight of 2318.48 g/mol. Its IUPAC name is (3S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(2-hydroxyethylamino)methyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide;2-[(1S,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxyazetidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(2-hydroxyethylamino)methyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide;2-[(1S,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxyazetidine-3-carboxamide
• PubChem CID: 160764387
• Molecular Formula: C90H173FN22O46
• Molecular Weight: 2318.48 g/mol
• Exact Mass: 2317.19
• IUPAC Name: (3S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(2-hydroxyethylamino)methyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide;2-[(1S,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxyazetidine-3-carboxamide
• SMILES: NCCCNC[C@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]4N)[C@H]3O)[C@@H](O)[C@H](CC(=O)C3(O)CC3N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O.NCCCNC[C@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]4N)[C@H]3O)[C@@H](O)[C@H](NC(=O)C3(O)CNC3)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O.NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](NC(=O)C(O)[C@@H](F)CN)C[C@H](N)[C@H]3O[C@H]3O[C@H](CNCCO)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C31H59N7O15.C30H58N8O15.C29H56FN7O16/c32-2-1-3-38-8-13-21(43)23(45)18(37)29(49-13)51-25-11(34)4-10(5-16(40)31(47)6-15(31)35)19(41)27(25)53-30-24(46)26(14(9-39)50-30)52-28-17(36)22(44)20(42)12(7-33)48-28;31-2-1-3-36-6-13-19(42)21(44)16(35)27(49-13)51-23-10(33)4-11(38-29(46)30(47)8-37-9-30)17(40)25(23)53-28-22(45)24(14(7-39)50-28)52-26-15(34)20(43)18(41)12(5-32)48-26;30-8(4-31)16(40)26(47)37-10-3-9(33)23(51-28-15(35)21(45)19(43)12(49-28)6-36-1-2-38)25(17(10)41)53-29-22(46)24(13(7-39)50-29)52-27-14(34)20(44)18(42)11(5-32)48-27/h10-15,17-30,38-39,41-47H,1-9,32-37H2;10-28,36-37,39-45,47H,1-9,31-35H2,(H,38,46);8-25,27-29,36,38-46H,1-7,31-35H2,(H,37,47)/t10-,11-,12-,13+,14+,15?,17+,18+,19-,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30-,31?;10-,11+,12-,13+,14+,15+,16+,17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28-;8-,9-,10+,11-,12+,13+,14+,15+,16?,17-,18+,19+,20+,21+,22+,23+,24+,25+,27+,28+,29-/m000/s1
• InChIKey: RYMJGJAEJLUDKG-WWOXKKPNSA-N
• XLogP: -30.09
• TPSA: 1211.60 Ų
• H-Bond Donors: 47
• H-Bond Acceptors: 66
• Rotatable Bonds: 47
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2318.48
LogP ≤ 5	-30.09
H-Bond Donors ≤ 5	47
H-Bond Acceptors ≤ 10	66

Frequently Asked Questions

What is the IUPAC name of (3S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(2-hydroxyethylamino)methyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide;2-[(1S,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxyazetidine-3-carboxamide?

The IUPAC name of (3S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(2-hydroxyethylamino)methyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide;2-[(1S,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxyazetidine-3-carboxamide (CID 160764387) is (3S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(2-hydroxyethylamino)methyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide;2-[(1S,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxyazetidine-3-carboxamide.

What is the SMILES notation for (3S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(2-hydroxyethylamino)methyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide;2-[(1S,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxyazetidine-3-carboxamide?

The canonical SMILES for (3S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(2-hydroxyethylamino)methyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide;2-[(1S,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxyazetidine-3-carboxamide is NCCCNC[C@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]4N)[C@H]3O)[C@@H](O)[C@H](CC(=O)C3(O)CC3N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O.NCCCNC[C@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]4N)[C@H]3O)[C@@H](O)[C@H](NC(=O)C3(O)CNC3)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O.NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](NC(=O)C(O)[C@@H](F)CN)C[C@H](N)[C@H]3O[C@H]3O[C@H](CNCCO)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O.

What is the InChIKey of (3S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(2-hydroxyethylamino)methyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide;2-[(1S,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxyazetidine-3-carboxamide?

The InChIKey is RYMJGJAEJLUDKG-WWOXKKPNSA-N. The full InChI is InChI=1S/C31H59N7O15.C30H58N8O15.C29H56FN7O16/c32-2-1-3-38-8-13-21(43)23(45)18(37)29(49-13)51-25-11(34)4-10(5-16(40)31(47)6-15(31)35)19(41)27(25)53-30-24(46)26(14(9-39)50-30)52-28-17(36)22(44)20(42)12(7-33)48-28;31-2-1-3-36-6-13-19(42)21(44)16(35)27(49-13)51-23-10(33)4-11(38-29(46)30(47)8-37-9-30)17(40)25(23)53-28-22(45)24(14(7-39)50-28)52-26-15(34)20(43)18(41)12(5-32)48-26;30-8(4-31)16(40)26(47)37-10-3-9(33)23(51-28-15(35)21(45)19(43)12(49-28)6-36-1-2-38)25(17(10)41)53-29-22(46)24(13(7-39)50-29)52-27-14(34)20(44)18(42)11(5-32)48-27/h10-15,17-30,38-39,41-47H,1-9,32-37H2;10-28,36-37,39-45,47H,1-9,31-35H2,(H,38,46);8-25,27-29,36,38-46H,1-7,31-35H2,(H,37,47)/t10-,11-,12-,13+,14+,15?,17+,18+,19-,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30-,31?;10-,11+,12-,13+,14+,15+,16+,17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28-;8-,9-,10+,11-,12+,13+,14+,15+,16?,17-,18+,19+,20+,21+,22+,23+,24+,25+,27+,28+,29-/m000/s1.

What are the key properties of (3S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(2-hydroxyethylamino)methyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide;2-[(1S,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxyazetidine-3-carboxamide?

(3S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(2-hydroxyethylamino)methyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide;2-[(1S,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxyazetidine-3-carboxamide has a molecular weight of 2318.48 g/mol, XLogP of -30.09, 47 rotatable bonds, 47 hydrogen bond donors, and 66 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(2-hydroxyethylamino)methyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide;2-[(1S,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(3-aminopropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxyazetidine-3-carboxamide is sourced from PubChem (CID 160764387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).