[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2-(acetyloxymethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxyoxan-2-yl]methyl acetate

C32H50O18Si — CID 101349217

About [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2-(acetyloxymethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxyoxan-2-yl]methyl acetate

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2-(acetyloxymethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxyoxan-2-yl]methyl acetate (PubChem CID 101349217) has the molecular formula C32H50O18Si and a molecular weight of 750.82 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2-(acetyloxymethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxyoxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2-(acetyloxymethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxyoxan-2-yl]methyl acetate
• PubChem CID: 101349217
• Molecular Formula: C32H50O18Si
• Molecular Weight: 750.82 g/mol
• Exact Mass: 750.28
• IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2-(acetyloxymethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxyoxan-2-yl]methyl acetate
• SMILES: CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
• InChI: InChI=1S/C32H50O18Si/c1-16(33)40-13-23-25(43-18(3)35)27(45-20(5)37)28(46-21(6)38)30(48-23)50-32(15-41-17(2)34)29(47-22(7)39)26(44-19(4)36)24(49-32)14-42-51(11,12)31(8,9)10/h23-30H,13-15H2,1-12H3/t23-,24-,25-,26-,27+,28-,29+,30-,32+/m1/s1
• InChIKey: ZGBCGKHPHOWGAS-MICPXKNSSA-N
• XLogP: 1.63
• TPSA: 221.02 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.82
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2-(acetyloxymethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxyoxan-2-yl]methyl acetate?

The IUPAC name of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2-(acetyloxymethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxyoxan-2-yl]methyl acetate (CID 101349217) is [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2-(acetyloxymethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxyoxan-2-yl]methyl acetate.

What is the SMILES notation for [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2-(acetyloxymethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxyoxan-2-yl]methyl acetate?

The canonical SMILES for [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2-(acetyloxymethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxyoxan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.

What is the InChIKey of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2-(acetyloxymethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxyoxan-2-yl]methyl acetate?

The InChIKey is ZGBCGKHPHOWGAS-MICPXKNSSA-N. The full InChI is InChI=1S/C32H50O18Si/c1-16(33)40-13-23-25(43-18(3)35)27(45-20(5)37)28(46-21(6)38)30(48-23)50-32(15-41-17(2)34)29(47-22(7)39)26(44-19(4)36)24(49-32)14-42-51(11,12)31(8,9)10/h23-30H,13-15H2,1-12H3/t23-,24-,25-,26-,27+,28-,29+,30-,32+/m1/s1.

What are the key properties of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2-(acetyloxymethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxyoxan-2-yl]methyl acetate?

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2-(acetyloxymethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxyoxan-2-yl]methyl acetate has a molecular weight of 750.82 g/mol, XLogP of 1.63, 14 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2-(acetyloxymethyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 101349217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).