tert-butyl-[[(2R,3R,4S,5R,6S)-3-[(R)-deuterio(phenyl)methoxy]-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-diphenylsilane

C44H50O6Si — CID 56641791

About tert-butyl-[[(2R,3R,4S,5R,6S)-3-[(R)-deuterio(phenyl)methoxy]-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2R,3R,4S,5R,6S)-3-[(R)-deuterio(phenyl)methoxy]-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-diphenylsilane (PubChem CID 56641791) has the molecular formula C44H50O6Si and a molecular weight of 703.97 g/mol. Its IUPAC name is tert-butyl-[[(2R,3R,4S,5R,6S)-3-[(R)-deuterio(phenyl)methoxy]-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-diphenylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(2R,3R,4S,5R,6S)-3-[(R)-deuterio(phenyl)methoxy]-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-diphenylsilane
• PubChem CID: 56641791
• Molecular Formula: C44H50O6Si
• Molecular Weight: 703.97 g/mol
• Exact Mass: 703.34
• IUPAC Name: tert-butyl-[[(2R,3R,4S,5R,6S)-3-[(R)-deuterio(phenyl)methoxy]-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-diphenylsilane
• SMILES: [2H][C@@H](O[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OC)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1
• InChI: InChI=1S/C44H50O6Si/c1-44(2,3)51(37-26-16-8-17-27-37,38-28-18-9-19-29-38)49-33-39-40(46-30-34-20-10-5-11-21-34)41(47-31-35-22-12-6-13-23-35)42(43(45-4)50-39)48-32-36-24-14-7-15-25-36/h5-29,39-43H,30-33H2,1-4H3/t39-,40-,41+,42-,43+/m1/s1/i30D/t30-,39-,40-,41+,42-,43+
• InChIKey: GEYKFJRDKMXPMQ-VSMWXFANSA-N
• XLogP: 7.69
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.97
LogP ≤ 5	7.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of tert-butyl-[[(2R,3R,4S,5R,6S)-3-[(R)-deuterio(phenyl)methoxy]-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-diphenylsilane (CID 56641791) is tert-butyl-[[(2R,3R,4S,5R,6S)-3-[(R)-deuterio(phenyl)methoxy]-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-diphenylsilane.

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

The canonical SMILES for tert-butyl-[[(2R,3R,4S,5R,6S)-3-[(R)-deuterio(phenyl)methoxy]-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-diphenylsilane is [2H][C@@H](O[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OC)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1.

What is the InChIKey of tert-butyl-[[(2R,3R,4S,5R,6S)-3-[(R)-deuterio(phenyl)methoxy]-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-diphenylsilane?

The InChIKey is GEYKFJRDKMXPMQ-VSMWXFANSA-N. The full InChI is InChI=1S/C44H50O6Si/c1-44(2,3)51(37-26-16-8-17-27-37,38-28-18-9-19-29-38)49-33-39-40(46-30-34-20-10-5-11-21-34)41(47-31-35-22-12-6-13-23-35)42(43(45-4)50-39)48-32-36-24-14-7-15-25-36/h5-29,39-43H,30-33H2,1-4H3/t39-,40-,41+,42-,43+/m1/s1/i30D/t30-,39-,40-,41+,42-,43+.

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

tert-butyl-[[(2R,3R,4S,5R,6S)-3-[(R)-deuterio(phenyl)methoxy]-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-diphenylsilane has a molecular weight of 703.97 g/mol, XLogP of 7.69, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(2R,3R,4S,5R,6S)-3-[(R)-deuterio(phenyl)methoxy]-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 56641791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).