(2R)-2-[(2S,3S,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxy-6-methyloxan-2-yl]-2-hydroxy-2-phenylacetaldehyde

C27H48O6Si2 — CID 11060433

About (2R)-2-[(2S,3S,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxy-6-methyloxan-2-yl]-2-hydroxy-2-phenylacetaldehyde

(2R)-2-[(2S,3S,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxy-6-methyloxan-2-yl]-2-hydroxy-2-phenylacetaldehyde (PubChem CID 11060433) has the molecular formula C27H48O6Si2 and a molecular weight of 524.85 g/mol. Its IUPAC name is (2R)-2-[(2S,3S,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxy-6-methyloxan-2-yl]-2-hydroxy-2-phenylacetaldehyde.

Molecular Properties

• Compound Name: (2R)-2-[(2S,3S,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxy-6-methyloxan-2-yl]-2-hydroxy-2-phenylacetaldehyde
• PubChem CID: 11060433
• Molecular Formula: C27H48O6Si2
• Molecular Weight: 524.85 g/mol
• Exact Mass: 524.30
• IUPAC Name: (2R)-2-[(2S,3S,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxy-6-methyloxan-2-yl]-2-hydroxy-2-phenylacetaldehyde
• SMILES: CO[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O[C@H]([C@@](O)(C=O)c2ccccc2)[C@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C27H48O6Si2/c1-19-21(32-34(9,10)25(2,3)4)22(30-8)23(33-35(11,12)26(5,6)7)24(31-19)27(29,18-28)20-16-14-13-15-17-20/h13-19,21-24,29H,1-12H3/t19-,21-,22-,23+,24+,27-/m1/s1
• InChIKey: CSVKNCSIAUADAX-FEKSMNBOSA-N
• XLogP: 5.66
• TPSA: 74.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.85
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,3S,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxy-6-methyloxan-2-yl]-2-hydroxy-2-phenylacetaldehyde?

The IUPAC name of (2R)-2-[(2S,3S,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxy-6-methyloxan-2-yl]-2-hydroxy-2-phenylacetaldehyde (CID 11060433) is (2R)-2-[(2S,3S,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxy-6-methyloxan-2-yl]-2-hydroxy-2-phenylacetaldehyde.

What is the SMILES notation for (2R)-2-[(2S,3S,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxy-6-methyloxan-2-yl]-2-hydroxy-2-phenylacetaldehyde?

The canonical SMILES for (2R)-2-[(2S,3S,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxy-6-methyloxan-2-yl]-2-hydroxy-2-phenylacetaldehyde is CO[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O[C@H]([C@@](O)(C=O)c2ccccc2)[C@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (2R)-2-[(2S,3S,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxy-6-methyloxan-2-yl]-2-hydroxy-2-phenylacetaldehyde?

The InChIKey is CSVKNCSIAUADAX-FEKSMNBOSA-N. The full InChI is InChI=1S/C27H48O6Si2/c1-19-21(32-34(9,10)25(2,3)4)22(30-8)23(33-35(11,12)26(5,6)7)24(31-19)27(29,18-28)20-16-14-13-15-17-20/h13-19,21-24,29H,1-12H3/t19-,21-,22-,23+,24+,27-/m1/s1.

What are the key properties of (2R)-2-[(2S,3S,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxy-6-methyloxan-2-yl]-2-hydroxy-2-phenylacetaldehyde?

(2R)-2-[(2S,3S,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxy-6-methyloxan-2-yl]-2-hydroxy-2-phenylacetaldehyde has a molecular weight of 524.85 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(2S,3S,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxy-6-methyloxan-2-yl]-2-hydroxy-2-phenylacetaldehyde is sourced from PubChem (CID 11060433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).