(2S,3R,4S,5S,6S)-2-(2-bromoethynyl)-5-[2-[dimethyl-[2-methyl-4-tri(propan-2-yl)silyloxybutan-2-yl]silyl]ethynyl]-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxyoxan-4-ol

C35H67BrO5Si3 — CID 100960244

About (2S,3R,4S,5S,6S)-2-(2-bromoethynyl)-5-[2-[dimethyl-[2-methyl-4-tri(propan-2-yl)silyloxybutan-2-yl]silyl]ethynyl]-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxyoxan-4-ol

(2S,3R,4S,5S,6S)-2-(2-bromoethynyl)-5-[2-[dimethyl-[2-methyl-4-tri(propan-2-yl)silyloxybutan-2-yl]silyl]ethynyl]-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxyoxan-4-ol (PubChem CID 100960244) has the molecular formula C35H67BrO5Si3 and a molecular weight of 732.08 g/mol. Its IUPAC name is (2S,3R,4S,5S,6S)-2-(2-bromoethynyl)-5-[2-[dimethyl-[2-methyl-4-tri(propan-2-yl)silyloxybutan-2-yl]silyl]ethynyl]-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxyoxan-4-ol.

Molecular Properties

• Compound Name: (2S,3R,4S,5S,6S)-2-(2-bromoethynyl)-5-[2-[dimethyl-[2-methyl-4-tri(propan-2-yl)silyloxybutan-2-yl]silyl]ethynyl]-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxyoxan-4-ol
• PubChem CID: 100960244
• Molecular Formula: C35H67BrO5Si3
• Molecular Weight: 732.08 g/mol
• Exact Mass: 730.35
• IUPAC Name: (2S,3R,4S,5S,6S)-2-(2-bromoethynyl)-5-[2-[dimethyl-[2-methyl-4-tri(propan-2-yl)silyloxybutan-2-yl]silyl]ethynyl]-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxyoxan-4-ol
• SMILES: CC(C)[Si](OCCC(C)(C)[Si](C)(C)C#CC1[C@@H](CO)O[C@@H](C#CBr)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1O)(C(C)C)C(C)C
• InChI: InChI=1S/C35H67BrO5Si3/c1-24(2)43(25(3)4,26(5)6)39-21-19-35(13,14)42(15,16)22-18-30-32(23-37)40-31(17-20-36)34(33(30)38)41-44(27(7)8,28(9)10)29(11)12/h24-34,37-38H,19,21,23H2,1-16H3/t30?,31-,32+,33-,34-/m0/s1
• InChIKey: UYQFDINETWLNOZ-RFNXDDMISA-N
• XLogP: 9.25
• TPSA: 68.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.08
LogP ≤ 5	9.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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,5S,6S)-2-(2-bromoethynyl)-5-[2-[dimethyl-[2-methyl-4-tri(propan-2-yl)silyloxybutan-2-yl]silyl]ethynyl]-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxyoxan-4-ol?

The IUPAC name of (2S,3R,4S,5S,6S)-2-(2-bromoethynyl)-5-[2-[dimethyl-[2-methyl-4-tri(propan-2-yl)silyloxybutan-2-yl]silyl]ethynyl]-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxyoxan-4-ol (CID 100960244) is (2S,3R,4S,5S,6S)-2-(2-bromoethynyl)-5-[2-[dimethyl-[2-methyl-4-tri(propan-2-yl)silyloxybutan-2-yl]silyl]ethynyl]-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxyoxan-4-ol.

What is the SMILES notation for (2S,3R,4S,5S,6S)-2-(2-bromoethynyl)-5-[2-[dimethyl-[2-methyl-4-tri(propan-2-yl)silyloxybutan-2-yl]silyl]ethynyl]-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxyoxan-4-ol?

The canonical SMILES for (2S,3R,4S,5S,6S)-2-(2-bromoethynyl)-5-[2-[dimethyl-[2-methyl-4-tri(propan-2-yl)silyloxybutan-2-yl]silyl]ethynyl]-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxyoxan-4-ol is CC(C)[Si](OCCC(C)(C)[Si](C)(C)C#CC1[C@@H](CO)O[C@@H](C#CBr)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1O)(C(C)C)C(C)C.

What is the InChIKey of (2S,3R,4S,5S,6S)-2-(2-bromoethynyl)-5-[2-[dimethyl-[2-methyl-4-tri(propan-2-yl)silyloxybutan-2-yl]silyl]ethynyl]-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxyoxan-4-ol?

The InChIKey is UYQFDINETWLNOZ-RFNXDDMISA-N. The full InChI is InChI=1S/C35H67BrO5Si3/c1-24(2)43(25(3)4,26(5)6)39-21-19-35(13,14)42(15,16)22-18-30-32(23-37)40-31(17-20-36)34(33(30)38)41-44(27(7)8,28(9)10)29(11)12/h24-34,37-38H,19,21,23H2,1-16H3/t30?,31-,32+,33-,34-/m0/s1.

What are the key properties of (2S,3R,4S,5S,6S)-2-(2-bromoethynyl)-5-[2-[dimethyl-[2-methyl-4-tri(propan-2-yl)silyloxybutan-2-yl]silyl]ethynyl]-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxyoxan-4-ol?

(2S,3R,4S,5S,6S)-2-(2-bromoethynyl)-5-[2-[dimethyl-[2-methyl-4-tri(propan-2-yl)silyloxybutan-2-yl]silyl]ethynyl]-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxyoxan-4-ol has a molecular weight of 732.08 g/mol, XLogP of 9.25, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S,5S,6S)-2-(2-bromoethynyl)-5-[2-[dimethyl-[2-methyl-4-tri(propan-2-yl)silyloxybutan-2-yl]silyl]ethynyl]-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxyoxan-4-ol is sourced from PubChem (CID 100960244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).