[(2R,3R,4S,5S,6S)-4,5-diacetyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[1-tri(propan-2-yl)silylpyrrol-2-yl]oxan-2-yl]methyl acetate

C39H59NO17Si — CID 11104849

About [(2R,3R,4S,5S,6S)-4,5-diacetyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[1-tri(propan-2-yl)silylpyrrol-2-yl]oxan-2-yl]methyl acetate

[(2R,3R,4S,5S,6S)-4,5-diacetyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[1-tri(propan-2-yl)silylpyrrol-2-yl]oxan-2-yl]methyl acetate (PubChem CID 11104849) has the molecular formula C39H59NO17Si and a molecular weight of 841.98 g/mol. Its IUPAC name is [(2R,3R,4S,5S,6S)-4,5-diacetyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[1-tri(propan-2-yl)silylpyrrol-2-yl]oxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5S,6S)-4,5-diacetyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[1-tri(propan-2-yl)silylpyrrol-2-yl]oxan-2-yl]methyl acetate
• PubChem CID: 11104849
• Molecular Formula: C39H59NO17Si
• Molecular Weight: 841.98 g/mol
• Exact Mass: 841.36
• IUPAC Name: [(2R,3R,4S,5S,6S)-4,5-diacetyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[1-tri(propan-2-yl)silylpyrrol-2-yl]oxan-2-yl]methyl acetate
• SMILES: CC(=O)OC[C@H]1O[C@@H](c2cccn2[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
• InChI: InChI=1S/C39H59NO17Si/c1-19(2)58(20(3)4,21(5)6)40-16-14-15-29(40)32-35(51-25(10)44)36(52-26(11)45)34(30(55-32)17-48-22(7)41)57-39-38(54-28(13)47)37(53-27(12)46)33(50-24(9)43)31(56-39)18-49-23(8)42/h14-16,19-21,30-39H,17-18H2,1-13H3/t30-,31-,32+,33-,34-,35+,36+,37+,38-,39-/m1/s1
• InChIKey: AXFGFPCOLSNAOM-GOKSYLGISA-N
• XLogP: 3.85
• TPSA: 216.72 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	841.98
LogP ≤ 5	3.85
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,5S,6S)-4,5-diacetyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[1-tri(propan-2-yl)silylpyrrol-2-yl]oxan-2-yl]methyl acetate?

The IUPAC name of [(2R,3R,4S,5S,6S)-4,5-diacetyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[1-tri(propan-2-yl)silylpyrrol-2-yl]oxan-2-yl]methyl acetate (CID 11104849) is [(2R,3R,4S,5S,6S)-4,5-diacetyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[1-tri(propan-2-yl)silylpyrrol-2-yl]oxan-2-yl]methyl acetate.

What is the SMILES notation for [(2R,3R,4S,5S,6S)-4,5-diacetyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[1-tri(propan-2-yl)silylpyrrol-2-yl]oxan-2-yl]methyl acetate?

The canonical SMILES for [(2R,3R,4S,5S,6S)-4,5-diacetyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[1-tri(propan-2-yl)silylpyrrol-2-yl]oxan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@@H](c2cccn2[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(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,5S,6S)-4,5-diacetyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[1-tri(propan-2-yl)silylpyrrol-2-yl]oxan-2-yl]methyl acetate?

The InChIKey is AXFGFPCOLSNAOM-GOKSYLGISA-N. The full InChI is InChI=1S/C39H59NO17Si/c1-19(2)58(20(3)4,21(5)6)40-16-14-15-29(40)32-35(51-25(10)44)36(52-26(11)45)34(30(55-32)17-48-22(7)41)57-39-38(54-28(13)47)37(53-27(12)46)33(50-24(9)43)31(56-39)18-49-23(8)42/h14-16,19-21,30-39H,17-18H2,1-13H3/t30-,31-,32+,33-,34-,35+,36+,37+,38-,39-/m1/s1.

What are the key properties of [(2R,3R,4S,5S,6S)-4,5-diacetyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[1-tri(propan-2-yl)silylpyrrol-2-yl]oxan-2-yl]methyl acetate?

[(2R,3R,4S,5S,6S)-4,5-diacetyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[1-tri(propan-2-yl)silylpyrrol-2-yl]oxan-2-yl]methyl acetate has a molecular weight of 841.98 g/mol, XLogP of 3.85, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5S,6S)-4,5-diacetyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[1-tri(propan-2-yl)silylpyrrol-2-yl]oxan-2-yl]methyl acetate is sourced from PubChem (CID 11104849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).