[(3R,6R)-6-[(2R,5R)-6-(hydroxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methanol

C30H70O11Si6 — CID 135021954

About [(3R,6R)-6-[(2R,5R)-6-(hydroxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methanol

[(3R,6R)-6-[(2R,5R)-6-(hydroxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methanol (PubChem CID 135021954) has the molecular formula C30H70O11Si6 and a molecular weight of 775.39 g/mol. Its IUPAC name is [(3R,6R)-6-[(2R,5R)-6-(hydroxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methanol.

Molecular Properties

• Compound Name: [(3R,6R)-6-[(2R,5R)-6-(hydroxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methanol
• PubChem CID: 135021954
• Molecular Formula: C30H70O11Si6
• Molecular Weight: 775.39 g/mol
• Exact Mass: 774.35
• IUPAC Name: [(3R,6R)-6-[(2R,5R)-6-(hydroxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methanol
• SMILES: C[Si](C)(C)OC1C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(CO)O[C@@H]1O[C@H]1OC(CO)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
• InChI: InChI=1S/C30H70O11Si6/c1-42(2,3)36-23-21(19-31)33-29(27(40-46(13,14)15)25(23)38-44(7,8)9)35-30-28(41-47(16,17)18)26(39-45(10,11)12)24(22(20-32)34-30)37-43(4,5)6/h21-32H,19-20H2,1-18H3/t21?,22?,23-,24-,25?,26?,27?,28?,29-,30-/m1/s1
• InChIKey: GJRIVRWJCNTRRI-GUIULOMPSA-N
• XLogP: 5.76
• TPSA: 123.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	775.39
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3R,6R)-6-[(2R,5R)-6-(hydroxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methanol?

The IUPAC name of [(3R,6R)-6-[(2R,5R)-6-(hydroxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methanol (CID 135021954) is [(3R,6R)-6-[(2R,5R)-6-(hydroxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methanol.

What is the SMILES notation for [(3R,6R)-6-[(2R,5R)-6-(hydroxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methanol?

The canonical SMILES for [(3R,6R)-6-[(2R,5R)-6-(hydroxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methanol is C[Si](C)(C)OC1C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(CO)O[C@@H]1O[C@H]1OC(CO)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C.

What is the InChIKey of [(3R,6R)-6-[(2R,5R)-6-(hydroxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methanol?

The InChIKey is GJRIVRWJCNTRRI-GUIULOMPSA-N. The full InChI is InChI=1S/C30H70O11Si6/c1-42(2,3)36-23-21(19-31)33-29(27(40-46(13,14)15)25(23)38-44(7,8)9)35-30-28(41-47(16,17)18)26(39-45(10,11)12)24(22(20-32)34-30)37-43(4,5)6/h21-32H,19-20H2,1-18H3/t21?,22?,23-,24-,25?,26?,27?,28?,29-,30-/m1/s1.

What are the key properties of [(3R,6R)-6-[(2R,5R)-6-(hydroxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methanol?

[(3R,6R)-6-[(2R,5R)-6-(hydroxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methanol has a molecular weight of 775.39 g/mol, XLogP of 5.76, 16 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,6R)-6-[(2R,5R)-6-(hydroxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methanol is sourced from PubChem (CID 135021954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).