(2R,3R,4R,5S,6R)-3-[4-[(2S,3R,4S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-5-[2-tri(propan-2-yl)silyloxyethynyl]oxan-2-yl]buta-1,3-diynyl]-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol

C50H90O9Si4 — CID 134976733

About (2R,3R,4R,5S,6R)-3-[4-[(2S,3R,4S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-5-[2-tri(propan-2-yl)silyloxyethynyl]oxan-2-yl]buta-1,3-diynyl]-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol

(2R,3R,4R,5S,6R)-3-[4-[(2S,3R,4S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-5-[2-tri(propan-2-yl)silyloxyethynyl]oxan-2-yl]buta-1,3-diynyl]-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol (PubChem CID 134976733) has the molecular formula C50H90O9Si4 and a molecular weight of 947.60 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-3-[4-[(2S,3R,4S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-5-[2-tri(propan-2-yl)silyloxyethynyl]oxan-2-yl]buta-1,3-diynyl]-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol.

Molecular Properties

• Compound Name: (2R,3R,4R,5S,6R)-3-[4-[(2S,3R,4S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-5-[2-tri(propan-2-yl)silyloxyethynyl]oxan-2-yl]buta-1,3-diynyl]-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol
• PubChem CID: 134976733
• Molecular Formula: C50H90O9Si4
• Molecular Weight: 947.60 g/mol
• Exact Mass: 946.57
• IUPAC Name: (2R,3R,4R,5S,6R)-3-[4-[(2S,3R,4S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-5-[2-tri(propan-2-yl)silyloxyethynyl]oxan-2-yl]buta-1,3-diynyl]-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol
• SMILES: CC(C)[Si](OC#C[C@H]1[C@H](O)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C#CC#C[C@@H]2[C@@H](O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C#C[Si](C)(C)C)O[C@H]2CO)O[C@@H]1CO)(C(C)C)C(C)C
• InChI: InChI=1S/C50H90O9Si4/c1-32(2)61(33(3)4,34(5)6)55-28-26-42-46(31-52)56-43(49(48(42)54)58-62(35(7)8,36(9)10)37(11)12)25-23-22-24-41-45(30-51)57-44(27-29-60(19,20)21)50(47(41)53)59-63(38(13)14,39(15)16)40(17)18/h32-54H,30-31H2,1-21H3/t41-,42+,43-,44+,45-,46+,47+,48-,49-,50+/m0/s1
• InChIKey: BXFVHOPNGYCMCC-CGLYFDJFSA-N
• XLogP: 9.62
• TPSA: 127.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	947.60
LogP ≤ 5	9.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6R)-3-[4-[(2S,3R,4S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-5-[2-tri(propan-2-yl)silyloxyethynyl]oxan-2-yl]buta-1,3-diynyl]-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol?

The IUPAC name of (2R,3R,4R,5S,6R)-3-[4-[(2S,3R,4S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-5-[2-tri(propan-2-yl)silyloxyethynyl]oxan-2-yl]buta-1,3-diynyl]-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol (CID 134976733) is (2R,3R,4R,5S,6R)-3-[4-[(2S,3R,4S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-5-[2-tri(propan-2-yl)silyloxyethynyl]oxan-2-yl]buta-1,3-diynyl]-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol.

What is the SMILES notation for (2R,3R,4R,5S,6R)-3-[4-[(2S,3R,4S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-5-[2-tri(propan-2-yl)silyloxyethynyl]oxan-2-yl]buta-1,3-diynyl]-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol?

The canonical SMILES for (2R,3R,4R,5S,6R)-3-[4-[(2S,3R,4S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-5-[2-tri(propan-2-yl)silyloxyethynyl]oxan-2-yl]buta-1,3-diynyl]-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol is CC(C)[Si](OC#C[C@H]1[C@H](O)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C#CC#C[C@@H]2[C@@H](O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C#C[Si](C)(C)C)O[C@H]2CO)O[C@@H]1CO)(C(C)C)C(C)C.

What is the InChIKey of (2R,3R,4R,5S,6R)-3-[4-[(2S,3R,4S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-5-[2-tri(propan-2-yl)silyloxyethynyl]oxan-2-yl]buta-1,3-diynyl]-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol?

The InChIKey is BXFVHOPNGYCMCC-CGLYFDJFSA-N. The full InChI is InChI=1S/C50H90O9Si4/c1-32(2)61(33(3)4,34(5)6)55-28-26-42-46(31-52)56-43(49(48(42)54)58-62(35(7)8,36(9)10)37(11)12)25-23-22-24-41-45(30-51)57-44(27-29-60(19,20)21)50(47(41)53)59-63(38(13)14,39(15)16)40(17)18/h32-54H,30-31H2,1-21H3/t41-,42+,43-,44+,45-,46+,47+,48-,49-,50+/m0/s1.

What are the key properties of (2R,3R,4R,5S,6R)-3-[4-[(2S,3R,4S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-5-[2-tri(propan-2-yl)silyloxyethynyl]oxan-2-yl]buta-1,3-diynyl]-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol?

(2R,3R,4R,5S,6R)-3-[4-[(2S,3R,4S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-5-[2-tri(propan-2-yl)silyloxyethynyl]oxan-2-yl]buta-1,3-diynyl]-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol has a molecular weight of 947.60 g/mol, XLogP of 9.62, 16 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5S,6R)-3-[4-[(2S,3R,4S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-5-[2-tri(propan-2-yl)silyloxyethynyl]oxan-2-yl]buta-1,3-diynyl]-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol is sourced from PubChem (CID 134976733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).