[(2S,3R,4S,5R,6R)-3-ethynyl-6-[4-[(2R,3R,4S,5R,6S)-5-ethynyl-6-(hydroxymethyl)-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]buta-1,3-diynyl]-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol

C56H102O8Si4 — CID 134976415

About [(2S,3R,4S,5R,6R)-3-ethynyl-6-[4-[(2R,3R,4S,5R,6S)-5-ethynyl-6-(hydroxymethyl)-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]buta-1,3-diynyl]-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol

[(2S,3R,4S,5R,6R)-3-ethynyl-6-[4-[(2R,3R,4S,5R,6S)-5-ethynyl-6-(hydroxymethyl)-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]buta-1,3-diynyl]-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol (PubChem CID 134976415) has the molecular formula C56H102O8Si4 and a molecular weight of 1015.77 g/mol. Its IUPAC name is [(2S,3R,4S,5R,6R)-3-ethynyl-6-[4-[(2R,3R,4S,5R,6S)-5-ethynyl-6-(hydroxymethyl)-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]buta-1,3-diynyl]-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol.

Molecular Properties

• Compound Name: [(2S,3R,4S,5R,6R)-3-ethynyl-6-[4-[(2R,3R,4S,5R,6S)-5-ethynyl-6-(hydroxymethyl)-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]buta-1,3-diynyl]-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol
• PubChem CID: 134976415
• Molecular Formula: C56H102O8Si4
• Molecular Weight: 1015.77 g/mol
• Exact Mass: 1014.67
• IUPAC Name: [(2S,3R,4S,5R,6R)-3-ethynyl-6-[4-[(2R,3R,4S,5R,6S)-5-ethynyl-6-(hydroxymethyl)-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]buta-1,3-diynyl]-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol
• SMILES: C#C[C@H]1[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C#CC#C[C@H]2O[C@H](CO)[C@@H](C#C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2O[Si](C(C)C)(C(C)C)C(C)C)O[C@@H]1CO
• InChI: InChI=1S/C56H102O8Si4/c1-27-47-51(33-57)59-49(55(63-67(41(15)16,42(17)18)43(19)20)53(47)61-65(35(3)4,36(5)6)37(7)8)31-29-30-32-50-56(64-68(44(21)22,45(23)24)46(25)26)54(48(28-2)52(34-58)60-50)62-66(38(9)10,39(11)12)40(13)14/h1-2,35-58H,33-34H2,3-26H3/t47-,48-,49-,50-,51-,52-,53+,54+,55-,56-/m1/s1
• InChIKey: JXSLVMPTQUGQDV-AYWDFANWSA-N
• XLogP: 13.25
• TPSA: 95.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 22
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.77
LogP ≤ 5	13.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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 [(2S,3R,4S,5R,6R)-3-ethynyl-6-[4-[(2R,3R,4S,5R,6S)-5-ethynyl-6-(hydroxymethyl)-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]buta-1,3-diynyl]-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol?

The IUPAC name of [(2S,3R,4S,5R,6R)-3-ethynyl-6-[4-[(2R,3R,4S,5R,6S)-5-ethynyl-6-(hydroxymethyl)-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]buta-1,3-diynyl]-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol (CID 134976415) is [(2S,3R,4S,5R,6R)-3-ethynyl-6-[4-[(2R,3R,4S,5R,6S)-5-ethynyl-6-(hydroxymethyl)-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]buta-1,3-diynyl]-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol.

What is the SMILES notation for [(2S,3R,4S,5R,6R)-3-ethynyl-6-[4-[(2R,3R,4S,5R,6S)-5-ethynyl-6-(hydroxymethyl)-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]buta-1,3-diynyl]-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol?

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

What is the InChIKey of [(2S,3R,4S,5R,6R)-3-ethynyl-6-[4-[(2R,3R,4S,5R,6S)-5-ethynyl-6-(hydroxymethyl)-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]buta-1,3-diynyl]-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol?

The InChIKey is JXSLVMPTQUGQDV-AYWDFANWSA-N. The full InChI is InChI=1S/C56H102O8Si4/c1-27-47-51(33-57)59-49(55(63-67(41(15)16,42(17)18)43(19)20)53(47)61-65(35(3)4,36(5)6)37(7)8)31-29-30-32-50-56(64-68(44(21)22,45(23)24)46(25)26)54(48(28-2)52(34-58)60-50)62-66(38(9)10,39(11)12)40(13)14/h1-2,35-58H,33-34H2,3-26H3/t47-,48-,49-,50-,51-,52-,53+,54+,55-,56-/m1/s1.

What are the key properties of [(2S,3R,4S,5R,6R)-3-ethynyl-6-[4-[(2R,3R,4S,5R,6S)-5-ethynyl-6-(hydroxymethyl)-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]buta-1,3-diynyl]-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol?

[(2S,3R,4S,5R,6R)-3-ethynyl-6-[4-[(2R,3R,4S,5R,6S)-5-ethynyl-6-(hydroxymethyl)-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]buta-1,3-diynyl]-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol has a molecular weight of 1015.77 g/mol, XLogP of 13.25, 22 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R,4S,5R,6R)-3-ethynyl-6-[4-[(2R,3R,4S,5R,6S)-5-ethynyl-6-(hydroxymethyl)-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]buta-1,3-diynyl]-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol is sourced from PubChem (CID 134976415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).