methyl (2S,3S,4S,5R,6S)-4,5-dibenzoyloxy-3-methoxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-2-carboxylate

C81H84O22Si — CID 101013654

About methyl (2S,3S,4S,5R,6S)-4,5-dibenzoyloxy-3-methoxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-2-carboxylate

methyl (2S,3S,4S,5R,6S)-4,5-dibenzoyloxy-3-methoxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-2-carboxylate (PubChem CID 101013654) has the molecular formula C81H84O22Si and a molecular weight of 1437.63 g/mol. Its IUPAC name is methyl (2S,3S,4S,5R,6S)-4,5-dibenzoyloxy-3-methoxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-2-carboxylate.

Molecular Properties

• Compound Name: methyl (2S,3S,4S,5R,6S)-4,5-dibenzoyloxy-3-methoxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-2-carboxylate
• PubChem CID: 101013654
• Molecular Formula: C81H84O22Si
• Molecular Weight: 1437.63 g/mol
• Exact Mass: 1436.52
• IUPAC Name: methyl (2S,3S,4S,5R,6S)-4,5-dibenzoyloxy-3-methoxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-2-carboxylate
• SMILES: COC(=O)[C@H]1O[C@H](OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](OCC[Si](C)(C)C)[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC
• InChI: InChI=1S/C81H84O22Si/c1-88-65-68(100-75(84)58-40-24-11-25-41-58)72(102-77(86)60-44-28-13-29-45-60)81(103-69(65)78(87)89-2)95-52-62-64(98-73(82)56-36-20-9-21-37-56)67(99-74(83)57-38-22-10-23-39-57)71(101-76(85)59-42-26-12-27-43-59)80(97-62)94-51-61-63(91-48-53-30-14-6-15-31-53)66(92-49-54-32-16-7-17-33-54)70(93-50-55-34-18-8-19-35-55)79(96-61)90-46-47-104(3,4)5/h6-45,61-72,79-81H,46-52H2,1-5H3/t61-,62-,63+,64+,65+,66+,67+,68+,69+,70-,71-,72-,79-,80-,81+/m1/s1
• InChIKey: IAALOCGKSRHNBP-XVKYJFTFSA-N
• XLogP: 11.62
• TPSA: 250.10 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 31
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1437.63
LogP ≤ 5	11.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S,4S,5R,6S)-4,5-dibenzoyloxy-3-methoxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-2-carboxylate?

The IUPAC name of methyl (2S,3S,4S,5R,6S)-4,5-dibenzoyloxy-3-methoxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-2-carboxylate (CID 101013654) is methyl (2S,3S,4S,5R,6S)-4,5-dibenzoyloxy-3-methoxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-2-carboxylate.

What is the SMILES notation for methyl (2S,3S,4S,5R,6S)-4,5-dibenzoyloxy-3-methoxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-2-carboxylate?

The canonical SMILES for methyl (2S,3S,4S,5R,6S)-4,5-dibenzoyloxy-3-methoxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-2-carboxylate is COC(=O)[C@H]1O[C@H](OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](OCC[Si](C)(C)C)[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC.

What is the InChIKey of methyl (2S,3S,4S,5R,6S)-4,5-dibenzoyloxy-3-methoxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-2-carboxylate?

The InChIKey is IAALOCGKSRHNBP-XVKYJFTFSA-N. The full InChI is InChI=1S/C81H84O22Si/c1-88-65-68(100-75(84)58-40-24-11-25-41-58)72(102-77(86)60-44-28-13-29-45-60)81(103-69(65)78(87)89-2)95-52-62-64(98-73(82)56-36-20-9-21-37-56)67(99-74(83)57-38-22-10-23-39-57)71(101-76(85)59-42-26-12-27-43-59)80(97-62)94-51-61-63(91-48-53-30-14-6-15-31-53)66(92-49-54-32-16-7-17-33-54)70(93-50-55-34-18-8-19-35-55)79(96-61)90-46-47-104(3,4)5/h6-45,61-72,79-81H,46-52H2,1-5H3/t61-,62-,63+,64+,65+,66+,67+,68+,69+,70-,71-,72-,79-,80-,81+/m1/s1.

What are the key properties of methyl (2S,3S,4S,5R,6S)-4,5-dibenzoyloxy-3-methoxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-2-carboxylate?

methyl (2S,3S,4S,5R,6S)-4,5-dibenzoyloxy-3-methoxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-2-carboxylate has a molecular weight of 1437.63 g/mol, XLogP of 11.62, 31 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S,3S,4S,5R,6S)-4,5-dibenzoyloxy-3-methoxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-2-carboxylate is sourced from PubChem (CID 101013654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).