(2R,3R,4R,5S)-2-[2-[2-[2-[2-[4-[7-[1-[2-[2-[2-[2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-4-methylheptyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol

C50H76F6N12O14 — CID 174153971

About (2R,3R,4R,5S)-2-[2-[2-[2-[2-[4-[7-[1-[2-[2-[2-[2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-4-methylheptyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol

(2R,3R,4R,5S)-2-[2-[2-[2-[2-[4-[7-[1-[2-[2-[2-[2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-4-methylheptyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol (PubChem CID 174153971) has the molecular formula C50H76F6N12O14 and a molecular weight of 1183.22 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-[2-[2-[2-[2-[4-[7-[1-[2-[2-[2-[2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-4-methylheptyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3R,4R,5S)-2-[2-[2-[2-[2-[4-[7-[1-[2-[2-[2-[2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-4-methylheptyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
• PubChem CID: 174153971
• Molecular Formula: C50H76F6N12O14
• Molecular Weight: 1183.22 g/mol
• Exact Mass: 1182.55
• IUPAC Name: (2R,3R,4R,5S)-2-[2-[2-[2-[2-[4-[7-[1-[2-[2-[2-[2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-4-methylheptyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
• SMILES: CC(CCCc1cn(CCOCCOCCOCCOC[C@H]2OC[C@H](Nc3nccc(C(F)(F)F)n3)[C@@H](O)[C@H]2O)nn1)CCCc1cn(CCOCCOCCOCCOC[C@H]2OC[C@H](Nc3nccc(C(F)(F)F)n3)[C@@H](O)[C@H]2O)nn1
• InChI: InChI=1S/C50H76F6N12O14/c1-34(4-2-6-35-28-67(65-63-35)12-14-73-16-18-75-20-22-77-24-26-79-32-39-45(71)43(69)37(30-81-39)59-47-57-10-8-41(61-47)49(51,52)53)5-3-7-36-29-68(66-64-36)13-15-74-17-19-76-21-23-78-25-27-80-33-40-46(72)44(70)38(31-82-40)60-48-58-11-9-42(62-48)50(54,55)56/h8-11,28-29,34,37-40,43-46,69-72H,2-7,12-27,30-33H2,1H3,(H,57,59,61)(H,58,60,62)/t37-,38-,39+,40+,43+,44+,45-,46-/m0/s1
• InChIKey: GAZAOBJTVIVGKF-NSPIMLBTSA-N
• XLogP: 1.80
• TPSA: 310.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 40
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1183.22
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-[2-[2-[2-[2-[4-[7-[1-[2-[2-[2-[2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-4-methylheptyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol?

The IUPAC name of (2R,3R,4R,5S)-2-[2-[2-[2-[2-[4-[7-[1-[2-[2-[2-[2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-4-methylheptyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol (CID 174153971) is (2R,3R,4R,5S)-2-[2-[2-[2-[2-[4-[7-[1-[2-[2-[2-[2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-4-methylheptyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol.

What is the SMILES notation for (2R,3R,4R,5S)-2-[2-[2-[2-[2-[4-[7-[1-[2-[2-[2-[2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-4-methylheptyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol?

The canonical SMILES for (2R,3R,4R,5S)-2-[2-[2-[2-[2-[4-[7-[1-[2-[2-[2-[2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-4-methylheptyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol is CC(CCCc1cn(CCOCCOCCOCCOC[C@H]2OC[C@H](Nc3nccc(C(F)(F)F)n3)[C@@H](O)[C@H]2O)nn1)CCCc1cn(CCOCCOCCOCCOC[C@H]2OC[C@H](Nc3nccc(C(F)(F)F)n3)[C@@H](O)[C@H]2O)nn1.

What is the InChIKey of (2R,3R,4R,5S)-2-[2-[2-[2-[2-[4-[7-[1-[2-[2-[2-[2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-4-methylheptyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol?

The InChIKey is GAZAOBJTVIVGKF-NSPIMLBTSA-N. The full InChI is InChI=1S/C50H76F6N12O14/c1-34(4-2-6-35-28-67(65-63-35)12-14-73-16-18-75-20-22-77-24-26-79-32-39-45(71)43(69)37(30-81-39)59-47-57-10-8-41(61-47)49(51,52)53)5-3-7-36-29-68(66-64-36)13-15-74-17-19-76-21-23-78-25-27-80-33-40-46(72)44(70)38(31-82-40)60-48-58-11-9-42(62-48)50(54,55)56/h8-11,28-29,34,37-40,43-46,69-72H,2-7,12-27,30-33H2,1H3,(H,57,59,61)(H,58,60,62)/t37-,38-,39+,40+,43+,44+,45-,46-/m0/s1.

What are the key properties of (2R,3R,4R,5S)-2-[2-[2-[2-[2-[4-[7-[1-[2-[2-[2-[2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-4-methylheptyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol?

(2R,3R,4R,5S)-2-[2-[2-[2-[2-[4-[7-[1-[2-[2-[2-[2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-4-methylheptyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol has a molecular weight of 1183.22 g/mol, XLogP of 1.80, 40 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5S)-2-[2-[2-[2-[2-[4-[7-[1-[2-[2-[2-[2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-4-methylheptyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol is sourced from PubChem (CID 174153971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).