[(2S,4R,6R)-2-methoxy-6-[(1S,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol

C34H63NO6SiSn — CID 146027553

About [(2S,4R,6R)-2-methoxy-6-[(1S,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol

[(2S,4R,6R)-2-methoxy-6-[(1S,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol (PubChem CID 146027553) has the molecular formula C34H63NO6SiSn and a molecular weight of 728.68 g/mol. Its IUPAC name is [(2S,4R,6R)-2-methoxy-6-[(1S,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol.

Molecular Properties

• Compound Name: [(2S,4R,6R)-2-methoxy-6-[(1S,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol
• PubChem CID: 146027553
• Molecular Formula: C34H63NO6SiSn
• Molecular Weight: 728.68 g/mol
• Exact Mass: 729.34
• IUPAC Name: [(2S,4R,6R)-2-methoxy-6-[(1S,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol
• SMILES: CCC[C@H](/C=C/C(C)=C/[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C[C@@H](CO)C[C@](Cc2nc([Sn](C)(C)C)co2)(OC)O1)OC
• InChI: InChI=1S/C31H54NO6Si.3CH3.Sn/c1-11-12-27(34-9)14-13-25(8)17-29(38-39(22(2)3,23(4)5)24(6)7)28-18-26(21-33)19-31(35-10,37-28)20-30-32-15-16-36-30;;;;/h13-14,16-17,22-24,26-29,33H,11-12,18-21H2,1-10H3;3*1H3;/b14-13+,25-17+;;;;/t26-,27-,28-,29+,31+;;;;/m1..../s1
• InChIKey: DNGHYBYIEFYYQK-PWIOUHMISA-N
• XLogP: 7.77
• TPSA: 83.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	728.68
LogP ≤ 5	7.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S,4R,6R)-2-methoxy-6-[(1S,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol?

The IUPAC name of [(2S,4R,6R)-2-methoxy-6-[(1S,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol (CID 146027553) is [(2S,4R,6R)-2-methoxy-6-[(1S,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol.

What is the SMILES notation for [(2S,4R,6R)-2-methoxy-6-[(1S,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol?

The canonical SMILES for [(2S,4R,6R)-2-methoxy-6-[(1S,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol is CCC[C@H](/C=C/C(C)=C/[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C[C@@H](CO)C[C@](Cc2nc([Sn](C)(C)C)co2)(OC)O1)OC.

What is the InChIKey of [(2S,4R,6R)-2-methoxy-6-[(1S,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol?

The InChIKey is DNGHYBYIEFYYQK-PWIOUHMISA-N. The full InChI is InChI=1S/C31H54NO6Si.3CH3.Sn/c1-11-12-27(34-9)14-13-25(8)17-29(38-39(22(2)3,23(4)5)24(6)7)28-18-26(21-33)19-31(35-10,37-28)20-30-32-15-16-36-30;;;;/h13-14,16-17,22-24,26-29,33H,11-12,18-21H2,1-10H3;3*1H3;/b14-13+,25-17+;;;;/t26-,27-,28-,29+,31+;;;;/m1..../s1.

What are the key properties of [(2S,4R,6R)-2-methoxy-6-[(1S,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol?

[(2S,4R,6R)-2-methoxy-6-[(1S,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol has a molecular weight of 728.68 g/mol, XLogP of 7.77, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,4R,6R)-2-methoxy-6-[(1S,2E,4E,6R)-6-methoxy-3-methyl-1-tri(propan-2-yl)silyloxynona-2,4-dienyl]-2-[(4-trimethylstannyl-1,3-oxazol-2-yl)methyl]oxan-4-yl]methanol is sourced from PubChem (CID 146027553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).