[(3S,4R,6S)-5-azido-6-[(4S,6S)-6-[(3S,4R,6R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate

C100H134N6O19Si2 — CID 173465055

About [(3S,4R,6S)-5-azido-6-[(4S,6S)-6-[(3S,4R,6R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate

[(3S,4R,6S)-5-azido-6-[(4S,6S)-6-[(3S,4R,6R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate (PubChem CID 173465055) has the molecular formula C100H134N6O19Si2 and a molecular weight of 1780.37 g/mol. Its IUPAC name is [(3S,4R,6S)-5-azido-6-[(4S,6S)-6-[(3S,4R,6R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(3S,4R,6S)-5-azido-6-[(4S,6S)-6-[(3S,4R,6R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate
• PubChem CID: 173465055
• Molecular Formula: C100H134N6O19Si2
• Molecular Weight: 1780.37 g/mol
• Exact Mass: 1778.92
• IUPAC Name: [(3S,4R,6S)-5-azido-6-[(4S,6S)-6-[(3S,4R,6R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate
• SMILES: CO[C@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O[C@@H]2OC(C)[C@@H](O[C@H]3OC(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@@H](O[C@@H]4OC(C)C(O[C@@H]5OC(COC(C)=O)[C@@H](O[C@@H]6OC(C)[C@@H](C)[C@@H](OCc7ccccc7)C6C)[C@H](C)C5N=[N+]=[N-])[C@@H](OCc5ccccc5)C4C)[C@H](C)C3N=[N+]=[N-])[C@@H](OCc3ccccc3)C2C)[C@H](C)C1C
• InChI: InChI=1S/C100H134N6O19Si2/c1-61-62(2)93(108-19)118-81(59-113-126(99(13,14)15,76-47-33-23-34-48-76)77-49-35-24-36-50-77)86(61)121-95-67(7)89(111-56-74-43-29-21-30-44-74)92(70(10)116-95)125-98-84(104-106-102)65(5)88(82(120-98)60-114-127(100(16,17)18,78-51-37-25-38-52-78)79-53-39-26-40-54-79)123-96-68(8)90(112-57-75-45-31-22-32-46-75)91(71(11)117-96)124-97-83(103-105-101)64(4)87(80(119-97)58-109-72(12)107)122-94-66(6)85(63(3)69(9)115-94)110-55-73-41-27-20-28-42-73/h20-54,61-71,80-98H,55-60H2,1-19H3/t61-,62?,63-,64-,65-,66?,67?,68?,69?,70?,71?,80?,81?,82?,83?,84?,85-,86+,87+,88+,89+,90+,91?,92-,93+,94+,95+,96+,97+,98-/m1/s1
• InChIKey: IWDFAXSCWCFDTQ-UBLKKJLFSA-N
• XLogP: 16.89
• TPSA: 280.73 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 34
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1780.37
LogP ≤ 5	16.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(3S,4R,6S)-5-azido-6-[(4S,6S)-6-[(3S,4R,6R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate?

The IUPAC name of [(3S,4R,6S)-5-azido-6-[(4S,6S)-6-[(3S,4R,6R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate (CID 173465055) is [(3S,4R,6S)-5-azido-6-[(4S,6S)-6-[(3S,4R,6R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate.

What is the SMILES notation for [(3S,4R,6S)-5-azido-6-[(4S,6S)-6-[(3S,4R,6R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate?

The canonical SMILES for [(3S,4R,6S)-5-azido-6-[(4S,6S)-6-[(3S,4R,6R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate is CO[C@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O[C@@H]2OC(C)[C@@H](O[C@H]3OC(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@@H](O[C@@H]4OC(C)C(O[C@@H]5OC(COC(C)=O)[C@@H](O[C@@H]6OC(C)[C@@H](C)[C@@H](OCc7ccccc7)C6C)[C@H](C)C5N=[N+]=[N-])[C@@H](OCc5ccccc5)C4C)[C@H](C)C3N=[N+]=[N-])[C@@H](OCc3ccccc3)C2C)[C@H](C)C1C.

What is the InChIKey of [(3S,4R,6S)-5-azido-6-[(4S,6S)-6-[(3S,4R,6R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate?

The InChIKey is IWDFAXSCWCFDTQ-UBLKKJLFSA-N. The full InChI is InChI=1S/C100H134N6O19Si2/c1-61-62(2)93(108-19)118-81(59-113-126(99(13,14)15,76-47-33-23-34-48-76)77-49-35-24-36-50-77)86(61)121-95-67(7)89(111-56-74-43-29-21-30-44-74)92(70(10)116-95)125-98-84(104-106-102)65(5)88(82(120-98)60-114-127(100(16,17)18,78-51-37-25-38-52-78)79-53-39-26-40-54-79)123-96-68(8)90(112-57-75-45-31-22-32-46-75)91(71(11)117-96)124-97-83(103-105-101)64(4)87(80(119-97)58-109-72(12)107)122-94-66(6)85(63(3)69(9)115-94)110-55-73-41-27-20-28-42-73/h20-54,61-71,80-98H,55-60H2,1-19H3/t61-,62?,63-,64-,65-,66?,67?,68?,69?,70?,71?,80?,81?,82?,83?,84?,85-,86+,87+,88+,89+,90+,91?,92-,93+,94+,95+,96+,97+,98-/m1/s1.

What are the key properties of [(3S,4R,6S)-5-azido-6-[(4S,6S)-6-[(3S,4R,6R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate?

[(3S,4R,6S)-5-azido-6-[(4S,6S)-6-[(3S,4R,6R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate has a molecular weight of 1780.37 g/mol, XLogP of 16.89, 34 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S,4R,6S)-5-azido-6-[(4S,6S)-6-[(3S,4R,6R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(3R,4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyl-3-[(2S,4R,5R)-3,5,6-trimethyl-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 173465055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).