[(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate;propane

C136H136N4O34SSi2 — CID 158054532

About [(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate;propane

[(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate;propane (PubChem CID 158054532) has the molecular formula C136H136N4O34SSi2 and a molecular weight of 2458.82 g/mol. Its IUPAC name is [(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate;propane.

Molecular Properties

• Compound Name: [(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate;propane
• PubChem CID: 158054532
• Molecular Formula: C136H136N4O34SSi2
• Molecular Weight: 2458.82 g/mol
• Exact Mass: 2456.83
• IUPAC Name: [(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate;propane
• SMILES: CCC.COC1OC(COC(=O)c2ccccc2)C(O)[C@H](OC(=O)c2ccccc2)[C@@H]1N1C(=O)c2ccccc2C1=O.CO[C@H]1OC(COC(=O)c2ccccc2)[C@H](OC2OC(COC(=O)c3ccccc3)C(O[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c3ccccc3)C2N2C(=O)c3ccccc3C2=O)C(OC(=O)c2ccccc2)[C@H]1N1C(=O)c2ccccc2C1=O.Cc1ccc(SC2OC(COC(=O)c3ccccc3)C(O[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c3ccccc3)[C@@H]2N2C(=O)c3ccccc3C2=O)cc1
• InChI: InChI=1S/C63H60N2O17Si.C41H43NO8SSi.C29H25NO9.C3H8/c1-63(2,3)83(5,6)82-50-46(36-76-58(71)38-25-13-8-14-26-38)78-62(48(52(50)80-60(73)40-29-17-10-18-30-40)65-55(68)43-33-21-22-34-44(43)56(65)69)81-49-45(35-75-57(70)37-23-11-7-12-24-37)77-61(74-4)47(51(49)79-59(72)39-27-15-9-16-28-39)64-53(66)41-31-19-20-32-42(41)54(64)67;1-26-21-23-29(24-22-26)51-40-33(42-36(43)30-19-13-14-20-31(30)37(42)44)35(49-39(46)28-17-11-8-12-18-28)34(50-52(5,6)41(2,3)4)32(48-40)25-47-38(45)27-15-9-7-10-16-27;1-36-29-22(30-25(32)19-14-8-9-15-20(19)26(30)33)24(39-28(35)18-12-6-3-7-13-18)23(31)21(38-29)16-37-27(34)17-10-4-2-5-11-17;1-3-2/h7-34,45-52,61-62H,35-36H2,1-6H3;7-24,32-35,40H,25H2,1-6H3;2-15,21-24,29,31H,16H2,1H3;3H2,1-2H3/t45?,46?,47-,48?,49+,50?,51?,52-,61+,62?;32?,33-,34?,35+,40?;21?,22-,23?,24+,29?;/m100./s1
• InChIKey: FJWNBVBOXZAAAX-OEJPCOBISA-N
• XLogP: 20.19
• TPSA: 463.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 34
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2458.82
LogP ≤ 5	20.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate;propane?

The IUPAC name of [(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate;propane (CID 158054532) is [(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate;propane.

What is the SMILES notation for [(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate;propane?

The canonical SMILES for [(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate;propane is CCC.COC1OC(COC(=O)c2ccccc2)C(O)[C@H](OC(=O)c2ccccc2)[C@@H]1N1C(=O)c2ccccc2C1=O.CO[C@H]1OC(COC(=O)c2ccccc2)[C@H](OC2OC(COC(=O)c3ccccc3)C(O[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c3ccccc3)C2N2C(=O)c3ccccc3C2=O)C(OC(=O)c2ccccc2)[C@H]1N1C(=O)c2ccccc2C1=O.Cc1ccc(SC2OC(COC(=O)c3ccccc3)C(O[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c3ccccc3)[C@@H]2N2C(=O)c3ccccc3C2=O)cc1.

What is the InChIKey of [(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate;propane?

The InChIKey is FJWNBVBOXZAAAX-OEJPCOBISA-N. The full InChI is InChI=1S/C63H60N2O17Si.C41H43NO8SSi.C29H25NO9.C3H8/c1-63(2,3)83(5,6)82-50-46(36-76-58(71)38-25-13-8-14-26-38)78-62(48(52(50)80-60(73)40-29-17-10-18-30-40)65-55(68)43-33-21-22-34-44(43)56(65)69)81-49-45(35-75-57(70)37-23-11-7-12-24-37)77-61(74-4)47(51(49)79-59(72)39-27-15-9-16-28-39)64-53(66)41-31-19-20-32-42(41)54(64)67;1-26-21-23-29(24-22-26)51-40-33(42-36(43)30-19-13-14-20-31(30)37(42)44)35(49-39(46)28-17-11-8-12-18-28)34(50-52(5,6)41(2,3)4)32(48-40)25-47-38(45)27-15-9-7-10-16-27;1-36-29-22(30-25(32)19-14-8-9-15-20(19)26(30)33)24(39-28(35)18-12-6-3-7-13-18)23(31)21(38-29)16-37-27(34)17-10-4-2-5-11-17;1-3-2/h7-34,45-52,61-62H,35-36H2,1-6H3;7-24,32-35,40H,25H2,1-6H3;2-15,21-24,29,31H,16H2,1H3;3H2,1-2H3/t45?,46?,47-,48?,49+,50?,51?,52-,61+,62?;32?,33-,34?,35+,40?;21?,22-,23?,24+,29?;/m100./s1.

What are the key properties of [(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate;propane?

[(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate;propane has a molecular weight of 2458.82 g/mol, XLogP of 20.19, 34 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,5R,6S)-4-benzoyloxy-3-[(3S,4R)-4-benzoyloxy-6-(benzoyloxymethyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate;[(4R,5S)-4-benzoyloxy-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-methoxyoxan-2-yl]methyl benzoate;propane is sourced from PubChem (CID 158054532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).