[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2S,3R,4S,5S)-5-acetyloxy-2-(4-methoxyphenoxy)-4-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxyoxan-2-yl]methyl acetate

C46H66O24Si — CID 101443486

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

[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2S,3R,4S,5S)-5-acetyloxy-2-(4-methoxyphenoxy)-4-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxyoxan-2-yl]methyl acetate (PubChem CID 101443486) has the molecular formula C46H66O24Si and a molecular weight of 1031.10 g/mol. Its IUPAC name is [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2S,3R,4S,5S)-5-acetyloxy-2-(4-methoxyphenoxy)-4-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxyoxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2S,3R,4S,5S)-5-acetyloxy-2-(4-methoxyphenoxy)-4-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxyoxan-2-yl]methyl acetate
• PubChem CID: 101443486
• Molecular Formula: C46H66O24Si
• Molecular Weight: 1031.10 g/mol
• Exact Mass: 1030.37
• IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2S,3R,4S,5S)-5-acetyloxy-2-(4-methoxyphenoxy)-4-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxyoxan-2-yl]methyl acetate
• SMILES: COc1ccc(O[C@@H]2OC[C@H](OC(C)=O)[C@H](O[C@@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]2O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1
• InChI: InChI=1S/C46H66O24Si/c1-22(47)56-19-33-35(60-24(3)49)38(62-26(5)51)42(65-29(8)54)45(67-33)70-40-37(32(59-23(2)48)20-57-43(40)66-31-17-15-30(55-12)16-18-31)69-44-41(64-28(7)53)39(63-27(6)52)36(61-25(4)50)34(68-44)21-58-71(13,14)46(9,10)11/h15-18,32-45H,19-21H2,1-14H3/t32-,33+,34+,35-,36-,37-,38-,39-,40+,41+,42+,43-,44-,45-/m0/s1
• InChIKey: MMHZXFOOXGDTRG-QZXMRICYSA-N
• XLogP: 2.76
• TPSA: 284.24 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1031.10
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

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,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2S,3R,4S,5S)-5-acetyloxy-2-(4-methoxyphenoxy)-4-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxyoxan-2-yl]methyl acetate?

The IUPAC name of [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2S,3R,4S,5S)-5-acetyloxy-2-(4-methoxyphenoxy)-4-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxyoxan-2-yl]methyl acetate (CID 101443486) is [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2S,3R,4S,5S)-5-acetyloxy-2-(4-methoxyphenoxy)-4-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxyoxan-2-yl]methyl acetate.

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

The canonical SMILES for [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2S,3R,4S,5S)-5-acetyloxy-2-(4-methoxyphenoxy)-4-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxyoxan-2-yl]methyl acetate is COc1ccc(O[C@@H]2OC[C@H](OC(C)=O)[C@H](O[C@@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]2O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1.

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

The InChIKey is MMHZXFOOXGDTRG-QZXMRICYSA-N. The full InChI is InChI=1S/C46H66O24Si/c1-22(47)56-19-33-35(60-24(3)49)38(62-26(5)51)42(65-29(8)54)45(67-33)70-40-37(32(59-23(2)48)20-57-43(40)66-31-17-15-30(55-12)16-18-31)69-44-41(64-28(7)53)39(63-27(6)52)36(61-25(4)50)34(68-44)21-58-71(13,14)46(9,10)11/h15-18,32-45H,19-21H2,1-14H3/t32-,33+,34+,35-,36-,37-,38-,39-,40+,41+,42+,43-,44-,45-/m0/s1.

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

[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2S,3R,4S,5S)-5-acetyloxy-2-(4-methoxyphenoxy)-4-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxyoxan-2-yl]methyl acetate has a molecular weight of 1031.10 g/mol, XLogP of 2.76, 19 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2S,3R,4S,5S)-5-acetyloxy-2-(4-methoxyphenoxy)-4-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 101443486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).