(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4-amino-2-[(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-6-azido-3-hydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol;2,2,2-trifluoroacetic acid

C25H45F3N8O15 — CID 171394396

About (2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4-amino-2-[(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-6-azido-3-hydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol;2,2,2-trifluoroacetic acid

(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4-amino-2-[(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-6-azido-3-hydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol;2,2,2-trifluoroacetic acid (PubChem CID 171394396) has the molecular formula C25H45F3N8O15 and a molecular weight of 754.67 g/mol. Its IUPAC name is (2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4-amino-2-[(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-6-azido-3-hydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: (2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4-amino-2-[(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-6-azido-3-hydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol;2,2,2-trifluoroacetic acid
• PubChem CID: 171394396
• Molecular Formula: C25H45F3N8O15
• Molecular Weight: 754.67 g/mol
• Exact Mass: 754.30
• IUPAC Name: (2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4-amino-2-[(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-6-azido-3-hydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol;2,2,2-trifluoroacetic acid
• SMILES: O=C(O)C(F)(F)F.[N-]=[N+]=N[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@H]2O)[C@@H]1O[C@H]1O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1N
• InChI: InChI=1S/C23H44N8O13.C2HF3O2/c24-2-7-13(34)15(36)10(27)21(39-7)42-18-6(30-31-29)1-5(26)12(33)20(18)44-23-17(38)19(9(4-32)41-23)43-22-11(28)16(37)14(35)8(3-25)40-22;3-2(4,5)1(6)7/h5-23,32-38H,1-4,24-28H2;(H,6,7)/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+;/m1./s1
• InChIKey: GGNVGMMKCTZOCD-WQDIDPJDSA-N
• XLogP: -6.91
• TPSA: 413.15 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	754.67
LogP ≤ 5	-6.91
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4-amino-2-[(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-6-azido-3-hydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol;2,2,2-trifluoroacetic acid?

The IUPAC name of (2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4-amino-2-[(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-6-azido-3-hydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol;2,2,2-trifluoroacetic acid (CID 171394396) is (2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4-amino-2-[(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-6-azido-3-hydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol;2,2,2-trifluoroacetic acid.

What is the SMILES notation for (2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4-amino-2-[(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-6-azido-3-hydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol;2,2,2-trifluoroacetic acid?

The canonical SMILES for (2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4-amino-2-[(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-6-azido-3-hydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.[N-]=[N+]=N[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@H]2O)[C@@H]1O[C@H]1O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1N.

What is the InChIKey of (2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4-amino-2-[(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-6-azido-3-hydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol;2,2,2-trifluoroacetic acid?

The InChIKey is GGNVGMMKCTZOCD-WQDIDPJDSA-N. The full InChI is InChI=1S/C23H44N8O13.C2HF3O2/c24-2-7-13(34)15(36)10(27)21(39-7)42-18-6(30-31-29)1-5(26)12(33)20(18)44-23-17(38)19(9(4-32)41-23)43-22-11(28)16(37)14(35)8(3-25)40-22;3-2(4,5)1(6)7/h5-23,32-38H,1-4,24-28H2;(H,6,7)/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+;/m1./s1.

What are the key properties of (2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4-amino-2-[(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-6-azido-3-hydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol;2,2,2-trifluoroacetic acid?

(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4-amino-2-[(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-6-azido-3-hydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol;2,2,2-trifluoroacetic acid has a molecular weight of 754.67 g/mol, XLogP of -6.91, 10 rotatable bonds, 13 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4-amino-2-[(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-6-azido-3-hydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171394396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).