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

C54H62O14Si — CID 101013653

About methyl (2S,3S,4S,5R,6S)-4,5-dibenzoyloxy-3-methoxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)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-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)oxan-2-yl]methoxy]oxane-2-carboxylate (PubChem CID 101013653) has the molecular formula C54H62O14Si and a molecular weight of 963.16 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-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)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-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)oxan-2-yl]methoxy]oxane-2-carboxylate
• PubChem CID: 101013653
• Molecular Formula: C54H62O14Si
• Molecular Weight: 963.16 g/mol
• Exact Mass: 962.39
• IUPAC Name: methyl (2S,3S,4S,5R,6S)-4,5-dibenzoyloxy-3-methoxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)oxan-2-yl]methoxy]oxane-2-carboxylate
• SMILES: COC(=O)[C@H]1O[C@H](OC[C@H]2O[C@@H](OCC[Si](C)(C)C)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC
• InChI: InChI=1S/C54H62O14Si/c1-58-44-46(66-50(55)40-27-17-9-18-28-40)49(67-51(56)41-29-19-10-20-30-41)54(68-47(44)52(57)59-2)64-36-42-43(61-33-37-21-11-6-12-22-37)45(62-34-38-23-13-7-14-24-38)48(63-35-39-25-15-8-16-26-39)53(65-42)60-31-32-69(3,4)5/h6-30,42-49,53-54H,31-36H2,1-5H3/t42-,43+,44+,45+,46+,47+,48-,49-,53-,54+/m1/s1
• InChIKey: BKBWQGXCWLIVBO-JUMMOMHVSA-N
• XLogP: 8.20
• TPSA: 152.74 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 22
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	963.16
LogP ≤ 5	8.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)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-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)oxan-2-yl]methoxy]oxane-2-carboxylate (CID 101013653) is methyl (2S,3S,4S,5R,6S)-4,5-dibenzoyloxy-3-methoxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)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-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)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-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)oxan-2-yl]methoxy]oxane-2-carboxylate is COC(=O)[C@H]1O[C@H](OC[C@H]2O[C@@H](OCC[Si](C)(C)C)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[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-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)oxan-2-yl]methoxy]oxane-2-carboxylate?

The InChIKey is BKBWQGXCWLIVBO-JUMMOMHVSA-N. The full InChI is InChI=1S/C54H62O14Si/c1-58-44-46(66-50(55)40-27-17-9-18-28-40)49(67-51(56)41-29-19-10-20-30-41)54(68-47(44)52(57)59-2)64-36-42-43(61-33-37-21-11-6-12-22-37)45(62-34-38-23-13-7-14-24-38)48(63-35-39-25-15-8-16-26-39)53(65-42)60-31-32-69(3,4)5/h6-30,42-49,53-54H,31-36H2,1-5H3/t42-,43+,44+,45+,46+,47+,48-,49-,53-,54+/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-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)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-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)oxan-2-yl]methoxy]oxane-2-carboxylate has a molecular weight of 963.16 g/mol, XLogP of 8.20, 22 rotatable bonds, 0 hydrogen bond donors, and 14 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-tris(phenylmethoxy)-6-(2-trimethylsilylethoxy)oxan-2-yl]methoxy]oxane-2-carboxylate is sourced from PubChem (CID 101013653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).