[(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane

C73H80O11Si — CID 102251284

About [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane

[(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 102251284) has the molecular formula C73H80O11Si and a molecular weight of 1161.52 g/mol. Its IUPAC name is [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

• Compound Name: [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane
• PubChem CID: 102251284
• Molecular Formula: C73H80O11Si
• Molecular Weight: 1161.52 g/mol
• Exact Mass: 1160.55
• IUPAC Name: [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane
• SMILES: C=CCOC[C@H]1O[C@H](O[C@]2(COCc3ccccc3)O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
• InChI: InChI=1S/C73H80O11Si/c1-5-46-74-53-64-66(76-48-57-32-16-7-17-33-57)68(78-50-59-36-20-9-21-37-59)69(79-51-60-38-22-10-23-39-60)71(82-64)84-73(55-75-47-56-30-14-6-15-31-56)70(80-52-61-40-24-11-25-41-61)67(77-49-58-34-18-8-19-35-58)65(83-73)54-81-85(72(2,3)4,62-42-26-12-27-43-62)63-44-28-13-29-45-63/h5-45,64-71H,1,46-55H2,2-4H3/t64-,65-,66-,67-,68+,69-,70+,71-,73+/m1/s1
• InChIKey: KRXNMMZJHAEKLT-DVMAAYSLSA-N
• XLogP: 12.75
• TPSA: 101.53 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 30
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1161.52
LogP ≤ 5	12.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane?

The IUPAC name of [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane (CID 102251284) is [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane.

What is the SMILES notation for [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane?

The canonical SMILES for [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane is C=CCOC[C@H]1O[C@H](O[C@]2(COCc3ccccc3)O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.

What is the InChIKey of [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane?

The InChIKey is KRXNMMZJHAEKLT-DVMAAYSLSA-N. The full InChI is InChI=1S/C73H80O11Si/c1-5-46-74-53-64-66(76-48-57-32-16-7-17-33-57)68(78-50-59-36-20-9-21-37-59)69(79-51-60-38-22-10-23-39-60)71(82-64)84-73(55-75-47-56-30-14-6-15-31-56)70(80-52-61-40-24-11-25-41-61)67(77-49-58-34-18-8-19-35-58)65(83-73)54-81-85(72(2,3)4,62-42-26-12-27-43-62)63-44-28-13-29-45-63/h5-45,64-71H,1,46-55H2,2-4H3/t64-,65-,66-,67-,68+,69-,70+,71-,73+/m1/s1.

What are the key properties of [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane?

[(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 1161.52 g/mol, XLogP of 12.75, 30 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 102251284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).