[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-pent-4-enoxy-diphenylsilane

C45H50O7Si — CID 10996220

About [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-pent-4-enoxy-diphenylsilane

[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-pent-4-enoxy-diphenylsilane (PubChem CID 10996220) has the molecular formula C45H50O7Si and a molecular weight of 730.97 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-pent-4-enoxy-diphenylsilane.

Molecular Properties

• Compound Name: [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-pent-4-enoxy-diphenylsilane
• PubChem CID: 10996220
• Molecular Formula: C45H50O7Si
• Molecular Weight: 730.97 g/mol
• Exact Mass: 730.33
• IUPAC Name: [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-pent-4-enoxy-diphenylsilane
• SMILES: C=CCCCO[Si](OC[C@H]1O[C@H](OC)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C45H50O7Si/c1-3-4-20-31-50-53(39-27-16-8-17-28-39,40-29-18-9-19-30-40)51-35-41-42(47-32-36-21-10-5-11-22-36)43(48-33-37-23-12-6-13-24-37)44(45(46-2)52-41)49-34-38-25-14-7-15-26-38/h3,5-19,21-30,41-45H,1,4,20,31-35H2,2H3/t41-,42-,43+,44-,45+/m1/s1
• InChIKey: NDLWLJOVZLJDTJ-NUFGPDMYSA-N
• XLogP: 7.37
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 20
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.97
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-pent-4-enoxy-diphenylsilane?

The IUPAC name of [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-pent-4-enoxy-diphenylsilane (CID 10996220) is [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-pent-4-enoxy-diphenylsilane.

What is the SMILES notation for [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-pent-4-enoxy-diphenylsilane?

The canonical SMILES for [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-pent-4-enoxy-diphenylsilane is C=CCCCO[Si](OC[C@H]1O[C@H](OC)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1.

What is the InChIKey of [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-pent-4-enoxy-diphenylsilane?

The InChIKey is NDLWLJOVZLJDTJ-NUFGPDMYSA-N. The full InChI is InChI=1S/C45H50O7Si/c1-3-4-20-31-50-53(39-27-16-8-17-28-39,40-29-18-9-19-30-40)51-35-41-42(47-32-36-21-10-5-11-22-36)43(48-33-37-23-12-6-13-24-37)44(45(46-2)52-41)49-34-38-25-14-7-15-26-38/h3,5-19,21-30,41-45H,1,4,20,31-35H2,2H3/t41-,42-,43+,44-,45+/m1/s1.

What are the key properties of [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-pent-4-enoxy-diphenylsilane?

[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-pent-4-enoxy-diphenylsilane has a molecular weight of 730.97 g/mol, XLogP of 7.37, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-pent-4-enoxy-diphenylsilane is sourced from PubChem (CID 10996220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).