(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanal

C45H58O7Si — CID 11650644

About (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanal

(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanal (PubChem CID 11650644) has the molecular formula C45H58O7Si and a molecular weight of 739.04 g/mol. Its IUPAC name is (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanal.

Molecular Properties

• Compound Name: (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanal
• PubChem CID: 11650644
• Molecular Formula: C45H58O7Si
• Molecular Weight: 739.04 g/mol
• Exact Mass: 738.40
• IUPAC Name: (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanal
• SMILES: CC(C)(C)[Si](C)(C)OC[C@@H](CC=O)C[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
• InChI: InChI=1S/C45H58O7Si/c1-45(2,3)53(4,5)51-33-39(26-27-46)28-40-42(48-30-36-20-12-7-13-21-36)44(50-32-38-24-16-9-17-25-38)43(49-31-37-22-14-8-15-23-37)41(52-40)34-47-29-35-18-10-6-11-19-35/h6-25,27,39-44H,26,28-34H2,1-5H3/t39-,40-,41+,42-,43-,44+/m0/s1
• InChIKey: JVVJDHNYRCCFPY-ZYEKJNOESA-N
• XLogP: 9.34
• TPSA: 72.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 20
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.04
LogP ≤ 5	9.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanal?

The IUPAC name of (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanal (CID 11650644) is (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanal.

What is the SMILES notation for (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanal?

The canonical SMILES for (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanal is CC(C)(C)[Si](C)(C)OC[C@@H](CC=O)C[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.

What is the InChIKey of (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanal?

The InChIKey is JVVJDHNYRCCFPY-ZYEKJNOESA-N. The full InChI is InChI=1S/C45H58O7Si/c1-45(2,3)53(4,5)51-33-39(26-27-46)28-40-42(48-30-36-20-12-7-13-21-36)44(50-32-38-24-16-9-17-25-38)43(49-31-37-22-14-8-15-23-37)41(52-40)34-47-29-35-18-10-6-11-19-35/h6-25,27,39-44H,26,28-34H2,1-5H3/t39-,40-,41+,42-,43-,44+/m0/s1.

What are the key properties of (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanal?

(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanal has a molecular weight of 739.04 g/mol, XLogP of 9.34, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanal is sourced from PubChem (CID 11650644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).