(1R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-1-ol

C46H54O7Si — CID 23242968

About (1R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-1-ol

(1R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-1-ol (PubChem CID 23242968) has the molecular formula C46H54O7Si and a molecular weight of 747.02 g/mol. Its IUPAC name is (1R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-1-ol.

Molecular Properties

• Compound Name: (1R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-1-ol
• PubChem CID: 23242968
• Molecular Formula: C46H54O7Si
• Molecular Weight: 747.02 g/mol
• Exact Mass: 746.36
• IUPAC Name: (1R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-1-ol
• SMILES: CO[C@H]1O[C@H]([C@H](O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
• InChI: InChI=1S/C46H54O7Si/c1-46(2,3)54(38-26-16-8-17-27-38,39-28-18-9-19-29-39)52-31-30-40(47)41-42(49-32-35-20-10-5-11-21-35)43(50-33-36-22-12-6-13-23-36)44(45(48-4)53-41)51-34-37-24-14-7-15-25-37/h5-29,40-45,47H,30-34H2,1-4H3/t40-,41-,42-,43+,44-,45+/m1/s1
• InChIKey: ISBXUCZOXLAWJV-YUPNJTAXSA-N
• XLogP: 7.44
• TPSA: 75.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.02
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-1-ol?

The IUPAC name of (1R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-1-ol (CID 23242968) is (1R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-1-ol.

What is the SMILES notation for (1R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-1-ol?

The canonical SMILES for (1R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-1-ol is CO[C@H]1O[C@H]([C@H](O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.

What is the InChIKey of (1R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-1-ol?

The InChIKey is ISBXUCZOXLAWJV-YUPNJTAXSA-N. The full InChI is InChI=1S/C46H54O7Si/c1-46(2,3)54(38-26-16-8-17-27-38,39-28-18-9-19-29-39)52-31-30-40(47)41-42(49-32-35-20-10-5-11-21-35)43(50-33-36-22-12-6-13-23-36)44(45(48-4)53-41)51-34-37-24-14-7-15-25-37/h5-29,40-45,47H,30-34H2,1-4H3/t40-,41-,42-,43+,44-,45+/m1/s1.

What are the key properties of (1R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-1-ol?

(1R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-1-ol has a molecular weight of 747.02 g/mol, XLogP of 7.44, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-1-ol is sourced from PubChem (CID 23242968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).