(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-[4-[1-[4-[(1S,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxybutyl]triazol-4-yl]butoxy]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;decakis(2,2,2-trifluoroacetic acid)

C66H99F30N13O38 — CID 155523423

About (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-[4-[1-[4-[(1S,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxybutyl]triazol-4-yl]butoxy]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;decakis(2,2,2-trifluoroacetic acid)

(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-[4-[1-[4-[(1S,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxybutyl]triazol-4-yl]butoxy]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;decakis(2,2,2-trifluoroacetic acid) (PubChem CID 155523423) has the molecular formula C66H99F30N13O38 and a molecular weight of 2252.51 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-[4-[1-[4-[(1S,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxybutyl]triazol-4-yl]butoxy]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;decakis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-[4-[1-[4-[(1S,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxybutyl]triazol-4-yl]butoxy]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;decakis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155523423
• Molecular Formula: C66H99F30N13O38
• Molecular Weight: 2252.51 g/mol
• Exact Mass: 2251.57
• IUPAC Name: (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-[4-[1-[4-[(1S,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxybutyl]triazol-4-yl]butoxy]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;decakis(2,2,2-trifluoroacetic acid)
• SMILES: NC[C@H]1O[C@H](O[C@H]2[C@H](OCCCCn3cc(CCCCO[C@@H]4[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)C(N)[C@H]5O)[C@H](N)C[C@H](N)[C@H]4O[C@H]4O[C@H](CN)[C@@H](O)C[C@H]4N)nn3)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)C[C@@H]1O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C46H89N13O18.10C2HF3O2/c47-13-27-25(62)11-23(53)43(70-27)74-37-19(49)9-21(51)39(76-45-35(66)31(55)33(64)29(16-60)72-45)41(37)68-7-3-1-5-18-15-59(58-57-18)6-2-4-8-69-42-38(75-44-24(54)12-26(63)28(14-48)71-44)20(50)10-22(52)40(42)77-46-36(67)32(56)34(65)30(17-61)73-46;10*3-2(4,5)1(6)7/h15,19-46,60-67H,1-14,16-17,47-56H2;10*(H,6,7)/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31?,32-,33+,34+,35+,36+,37+,38+,39-,40-,41-,42-,43+,44+,45+,46+;;;;;;;;;;/m0........../s1
• InChIKey: DHXRQSMLIHPTFA-FOOSQXHCSA-N
• XLogP: -3.80
• TPSA: 918.05 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 41
• Rotatable Bonds: 24
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2252.51
LogP ≤ 5	-3.80
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-[4-[1-[4-[(1S,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxybutyl]triazol-4-yl]butoxy]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;decakis(2,2,2-trifluoroacetic acid)?

The IUPAC name of (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-[4-[1-[4-[(1S,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxybutyl]triazol-4-yl]butoxy]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;decakis(2,2,2-trifluoroacetic acid) (CID 155523423) is (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-[4-[1-[4-[(1S,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxybutyl]triazol-4-yl]butoxy]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;decakis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-[4-[1-[4-[(1S,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxybutyl]triazol-4-yl]butoxy]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;decakis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-[4-[1-[4-[(1S,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxybutyl]triazol-4-yl]butoxy]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;decakis(2,2,2-trifluoroacetic acid) is NC[C@H]1O[C@H](O[C@H]2[C@H](OCCCCn3cc(CCCCO[C@@H]4[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)C(N)[C@H]5O)[C@H](N)C[C@H](N)[C@H]4O[C@H]4O[C@H](CN)[C@@H](O)C[C@H]4N)nn3)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)C[C@@H]1O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-[4-[1-[4-[(1S,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxybutyl]triazol-4-yl]butoxy]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;decakis(2,2,2-trifluoroacetic acid)?

The InChIKey is DHXRQSMLIHPTFA-FOOSQXHCSA-N. The full InChI is InChI=1S/C46H89N13O18.10C2HF3O2/c47-13-27-25(62)11-23(53)43(70-27)74-37-19(49)9-21(51)39(76-45-35(66)31(55)33(64)29(16-60)72-45)41(37)68-7-3-1-5-18-15-59(58-57-18)6-2-4-8-69-42-38(75-44-24(54)12-26(63)28(14-48)71-44)20(50)10-22(52)40(42)77-46-36(67)32(56)34(65)30(17-61)73-46;10*3-2(4,5)1(6)7/h15,19-46,60-67H,1-14,16-17,47-56H2;10*(H,6,7)/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31?,32-,33+,34+,35+,36+,37+,38+,39-,40-,41-,42-,43+,44+,45+,46+;;;;;;;;;;/m0........../s1.

What are the key properties of (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-[4-[1-[4-[(1S,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxybutyl]triazol-4-yl]butoxy]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;decakis(2,2,2-trifluoroacetic acid)?

(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-[4-[1-[4-[(1S,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxybutyl]triazol-4-yl]butoxy]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;decakis(2,2,2-trifluoroacetic acid) has a molecular weight of 2252.51 g/mol, XLogP of -3.80, 24 rotatable bonds, 28 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-[4-[1-[4-[(1S,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxybutyl]triazol-4-yl]butoxy]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;decakis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155523423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).