(2S,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diazido-2-[(2R,3S,4R,5S,6R)-3-azido-6-(azidomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-2-ethyl-4-hydroxyoxolan-3-yl]oxyoxane-3,4-diol

C24H35FN18O11 — CID 167547814

About (2S,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diazido-2-[(2R,3S,4R,5S,6R)-3-azido-6-(azidomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-2-ethyl-4-hydroxyoxolan-3-yl]oxyoxane-3,4-diol

(2S,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diazido-2-[(2R,3S,4R,5S,6R)-3-azido-6-(azidomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-2-ethyl-4-hydroxyoxolan-3-yl]oxyoxane-3,4-diol (PubChem CID 167547814) has the molecular formula C24H35FN18O11 and a molecular weight of 770.66 g/mol. Its IUPAC name is (2S,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diazido-2-[(2R,3S,4R,5S,6R)-3-azido-6-(azidomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-2-ethyl-4-hydroxyoxolan-3-yl]oxyoxane-3,4-diol.

Molecular Properties

• Compound Name: (2S,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diazido-2-[(2R,3S,4R,5S,6R)-3-azido-6-(azidomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-2-ethyl-4-hydroxyoxolan-3-yl]oxyoxane-3,4-diol
• PubChem CID: 167547814
• Molecular Formula: C24H35FN18O11
• Molecular Weight: 770.66 g/mol
• Exact Mass: 770.27
• IUPAC Name: (2S,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diazido-2-[(2R,3S,4R,5S,6R)-3-azido-6-(azidomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-2-ethyl-4-hydroxyoxolan-3-yl]oxyoxane-3,4-diol
• SMILES: CC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](N=[N+]=[N-])C[C@H](N=[N+]=[N-])[C@H]2O[C@H]2O[C@H](CN=[N+]=[N-])[C@H](O)[C@H](F)[C@H]2N=[N+]=[N-])[C@H](O)[C@@H]1O[C@H]1O[C@@H](CN=[N+]=[N-])[C@@H](O)[C@H](O)[C@H]1N=[N+]=[N-]
• InChI: InChI=1S/C24H35FN18O11/c1-2-8-20(53-23-13(37-43-31)17(47)16(46)10(51-23)5-33-39-27)18(48)24(49-8)54-21-14(44)6(34-40-28)3-7(35-41-29)19(21)52-22-12(36-42-30)11(25)15(45)9(50-22)4-32-38-26/h6-24,44-48H,2-5H2,1H3/t6-,7+,8-,9-,10+,11-,12-,13-,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24+/m1/s1
• InChIKey: ASFWWTRRLGDEFF-LZPSJGJMSA-N
• XLogP: 1.61
• TPSA: 449.09 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.66
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

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 (2S,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diazido-2-[(2R,3S,4R,5S,6R)-3-azido-6-(azidomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-2-ethyl-4-hydroxyoxolan-3-yl]oxyoxane-3,4-diol?

The IUPAC name of (2S,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diazido-2-[(2R,3S,4R,5S,6R)-3-azido-6-(azidomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-2-ethyl-4-hydroxyoxolan-3-yl]oxyoxane-3,4-diol (CID 167547814) is (2S,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diazido-2-[(2R,3S,4R,5S,6R)-3-azido-6-(azidomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-2-ethyl-4-hydroxyoxolan-3-yl]oxyoxane-3,4-diol.

What is the SMILES notation for (2S,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diazido-2-[(2R,3S,4R,5S,6R)-3-azido-6-(azidomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-2-ethyl-4-hydroxyoxolan-3-yl]oxyoxane-3,4-diol?

The canonical SMILES for (2S,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diazido-2-[(2R,3S,4R,5S,6R)-3-azido-6-(azidomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-2-ethyl-4-hydroxyoxolan-3-yl]oxyoxane-3,4-diol is CC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](N=[N+]=[N-])C[C@H](N=[N+]=[N-])[C@H]2O[C@H]2O[C@H](CN=[N+]=[N-])[C@H](O)[C@H](F)[C@H]2N=[N+]=[N-])[C@H](O)[C@@H]1O[C@H]1O[C@@H](CN=[N+]=[N-])[C@@H](O)[C@H](O)[C@H]1N=[N+]=[N-].

What is the InChIKey of (2S,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diazido-2-[(2R,3S,4R,5S,6R)-3-azido-6-(azidomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-2-ethyl-4-hydroxyoxolan-3-yl]oxyoxane-3,4-diol?

The InChIKey is ASFWWTRRLGDEFF-LZPSJGJMSA-N. The full InChI is InChI=1S/C24H35FN18O11/c1-2-8-20(53-23-13(37-43-31)17(47)16(46)10(51-23)5-33-39-27)18(48)24(49-8)54-21-14(44)6(34-40-28)3-7(35-41-29)19(21)52-22-12(36-42-30)11(25)15(45)9(50-22)4-32-38-26/h6-24,44-48H,2-5H2,1H3/t6-,7+,8-,9-,10+,11-,12-,13-,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24+/m1/s1.

What are the key properties of (2S,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diazido-2-[(2R,3S,4R,5S,6R)-3-azido-6-(azidomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-2-ethyl-4-hydroxyoxolan-3-yl]oxyoxane-3,4-diol?

(2S,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diazido-2-[(2R,3S,4R,5S,6R)-3-azido-6-(azidomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-2-ethyl-4-hydroxyoxolan-3-yl]oxyoxane-3,4-diol has a molecular weight of 770.66 g/mol, XLogP of 1.61, 15 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diazido-2-[(2R,3S,4R,5S,6R)-3-azido-6-(azidomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-2-ethyl-4-hydroxyoxolan-3-yl]oxyoxane-3,4-diol is sourced from PubChem (CID 167547814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).