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

C39H54O10Si — CID 56636116

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

(2S,3R,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-2,4-diol (PubChem CID 56636116) has the molecular formula C39H54O10Si and a molecular weight of 710.94 g/mol. Its IUPAC name is (2S,3R,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-2,4-diol.

Molecular Properties

• Compound Name: (2S,3R,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-2,4-diol
• PubChem CID: 56636116
• Molecular Formula: C39H54O10Si
• Molecular Weight: 710.94 g/mol
• Exact Mass: 710.35
• IUPAC Name: (2S,3R,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-2,4-diol
• SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](O)O1
• InChI: InChI=1S/C39H54O10Si/c1-39(2,3)50(4,5)46-26-30-21-31(41)33(37(42)47-30)49-38-36(45-25-29-19-13-8-14-20-29)35(44-24-28-17-11-7-12-18-28)34(32(22-40)48-38)43-23-27-15-9-6-10-16-27/h6-20,30-38,40-42H,21-26H2,1-5H3/t30-,31-,32+,33+,34+,35-,36+,37-,38+/m0/s1
• InChIKey: BRXDOHDSKKKHMI-DFOKHMJSSA-N
• XLogP: 5.34
• TPSA: 125.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	710.94
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-2,4-diol?

The IUPAC name of (2S,3R,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-2,4-diol (CID 56636116) is (2S,3R,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-2,4-diol.

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

The canonical SMILES for (2S,3R,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-2,4-diol is CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](O)O1.

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

The InChIKey is BRXDOHDSKKKHMI-DFOKHMJSSA-N. The full InChI is InChI=1S/C39H54O10Si/c1-39(2,3)50(4,5)46-26-30-21-31(41)33(37(42)47-30)49-38-36(45-25-29-19-13-8-14-20-29)35(44-24-28-17-11-7-12-18-28)34(32(22-40)48-38)43-23-27-15-9-6-10-16-27/h6-20,30-38,40-42H,21-26H2,1-5H3/t30-,31-,32+,33+,34+,35-,36+,37-,38+/m0/s1.

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

(2S,3R,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-2,4-diol has a molecular weight of 710.94 g/mol, XLogP of 5.34, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-2,4-diol is sourced from PubChem (CID 56636116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).