(2R,3R,4R,5S)-6-[[4-[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]methylamino]hexane-1,2,3,4,5-pentol

C43H63ClN4O10Si2 — CID 162426107

About (2R,3R,4R,5S)-6-[[4-[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]methylamino]hexane-1,2,3,4,5-pentol

(2R,3R,4R,5S)-6-[[4-[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]methylamino]hexane-1,2,3,4,5-pentol (PubChem CID 162426107) has the molecular formula C43H63ClN4O10Si2 and a molecular weight of 887.62 g/mol. Its IUPAC name is (2R,3R,4R,5S)-6-[[4-[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]methylamino]hexane-1,2,3,4,5-pentol.

Molecular Properties

• Compound Name: (2R,3R,4R,5S)-6-[[4-[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]methylamino]hexane-1,2,3,4,5-pentol
• PubChem CID: 162426107
• Molecular Formula: C43H63ClN4O10Si2
• Molecular Weight: 887.62 g/mol
• Exact Mass: 886.38
• IUPAC Name: (2R,3R,4R,5S)-6-[[4-[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]methylamino]hexane-1,2,3,4,5-pentol
• SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1nc2nc(-c3ccc(-c4ccc(CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc4)cc3)c(Cl)cc2n1COCC[Si](C)(C)C
• InChI: InChI=1S/C43H63ClN4O10Si2/c1-43(2,3)60(7,8)58-35-24-56-39-34(23-55-40(35)39)57-42-47-41-31(48(42)25-54-17-18-59(4,5)6)19-30(44)36(46-41)29-15-13-28(14-16-29)27-11-9-26(10-12-27)20-45-21-32(50)37(52)38(53)33(51)22-49/h9-16,19,32-35,37-40,45,49-53H,17-18,20-25H2,1-8H3/t32-,33+,34+,35+,37+,38+,39+,40+/m0/s1
• InChIKey: IRBKEDXPSUTTRQ-OPAOADSXSA-N
• XLogP: 5.19
• TPSA: 190.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	887.62
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-6-[[4-[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]methylamino]hexane-1,2,3,4,5-pentol?

The IUPAC name of (2R,3R,4R,5S)-6-[[4-[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]methylamino]hexane-1,2,3,4,5-pentol (CID 162426107) is (2R,3R,4R,5S)-6-[[4-[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]methylamino]hexane-1,2,3,4,5-pentol.

What is the SMILES notation for (2R,3R,4R,5S)-6-[[4-[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]methylamino]hexane-1,2,3,4,5-pentol?

The canonical SMILES for (2R,3R,4R,5S)-6-[[4-[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]methylamino]hexane-1,2,3,4,5-pentol is CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1nc2nc(-c3ccc(-c4ccc(CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc4)cc3)c(Cl)cc2n1COCC[Si](C)(C)C.

What is the InChIKey of (2R,3R,4R,5S)-6-[[4-[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]methylamino]hexane-1,2,3,4,5-pentol?

The InChIKey is IRBKEDXPSUTTRQ-OPAOADSXSA-N. The full InChI is InChI=1S/C43H63ClN4O10Si2/c1-43(2,3)60(7,8)58-35-24-56-39-34(23-55-40(35)39)57-42-47-41-31(48(42)25-54-17-18-59(4,5)6)19-30(44)36(46-41)29-15-13-28(14-16-29)27-11-9-26(10-12-27)20-45-21-32(50)37(52)38(53)33(51)22-49/h9-16,19,32-35,37-40,45,49-53H,17-18,20-25H2,1-8H3/t32-,33+,34+,35+,37+,38+,39+,40+/m0/s1.

What are the key properties of (2R,3R,4R,5S)-6-[[4-[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]methylamino]hexane-1,2,3,4,5-pentol?

(2R,3R,4R,5S)-6-[[4-[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]methylamino]hexane-1,2,3,4,5-pentol has a molecular weight of 887.62 g/mol, XLogP of 5.19, 19 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5S)-6-[[4-[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]methylamino]hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 162426107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).