(4R)-4-benzyl-3-[(2R)-2-[(2S,5R)-5-methyl-2-phenyl-6-[(2S)-4-trimethylstannylpent-4-en-2-yl]-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one

C32H43NO5Sn — CID 134870824

About (4R)-4-benzyl-3-[(2R)-2-[(2S,5R)-5-methyl-2-phenyl-6-[(2S)-4-trimethylstannylpent-4-en-2-yl]-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R)-2-[(2S,5R)-5-methyl-2-phenyl-6-[(2S)-4-trimethylstannylpent-4-en-2-yl]-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one (PubChem CID 134870824) has the molecular formula C32H43NO5Sn and a molecular weight of 640.41 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R)-2-[(2S,5R)-5-methyl-2-phenyl-6-[(2S)-4-trimethylstannylpent-4-en-2-yl]-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-benzyl-3-[(2R)-2-[(2S,5R)-5-methyl-2-phenyl-6-[(2S)-4-trimethylstannylpent-4-en-2-yl]-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one
• PubChem CID: 134870824
• Molecular Formula: C32H43NO5Sn
• Molecular Weight: 640.41 g/mol
• Exact Mass: 641.22
• IUPAC Name: (4R)-4-benzyl-3-[(2R)-2-[(2S,5R)-5-methyl-2-phenyl-6-[(2S)-4-trimethylstannylpent-4-en-2-yl]-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one
• SMILES: C=C(C[C@H](C)C1O[C@H](c2ccccc2)OC([C@@H](C)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)[C@@H]1C)[Sn](C)(C)C
• InChI: InChI=1S/C29H34NO5.3CH3.Sn/c1-5-12-19(2)25-20(3)26(35-28(34-25)23-15-10-7-11-16-23)21(4)27(31)30-24(18-33-29(30)32)17-22-13-8-6-9-14-22;;;;/h6-11,13-16,19-21,24-26,28H,1,12,17-18H2,2-4H3;3*1H3;/t19-,20+,21+,24+,25?,26?,28-;;;;/m0..../s1
• InChIKey: USWJWDPIUZNGMX-QJVVHAALSA-N
• XLogP: 6.79
• TPSA: 65.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.41
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R)-2-[(2S,5R)-5-methyl-2-phenyl-6-[(2S)-4-trimethylstannylpent-4-en-2-yl]-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-4-benzyl-3-[(2R)-2-[(2S,5R)-5-methyl-2-phenyl-6-[(2S)-4-trimethylstannylpent-4-en-2-yl]-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one (CID 134870824) is (4R)-4-benzyl-3-[(2R)-2-[(2S,5R)-5-methyl-2-phenyl-6-[(2S)-4-trimethylstannylpent-4-en-2-yl]-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-4-benzyl-3-[(2R)-2-[(2S,5R)-5-methyl-2-phenyl-6-[(2S)-4-trimethylstannylpent-4-en-2-yl]-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-4-benzyl-3-[(2R)-2-[(2S,5R)-5-methyl-2-phenyl-6-[(2S)-4-trimethylstannylpent-4-en-2-yl]-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one is C=C(C[C@H](C)C1O[C@H](c2ccccc2)OC([C@@H](C)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)[C@@H]1C)[Sn](C)(C)C.

What is the InChIKey of (4R)-4-benzyl-3-[(2R)-2-[(2S,5R)-5-methyl-2-phenyl-6-[(2S)-4-trimethylstannylpent-4-en-2-yl]-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one?

The InChIKey is USWJWDPIUZNGMX-QJVVHAALSA-N. The full InChI is InChI=1S/C29H34NO5.3CH3.Sn/c1-5-12-19(2)25-20(3)26(35-28(34-25)23-15-10-7-11-16-23)21(4)27(31)30-24(18-33-29(30)32)17-22-13-8-6-9-14-22;;;;/h6-11,13-16,19-21,24-26,28H,1,12,17-18H2,2-4H3;3*1H3;/t19-,20+,21+,24+,25?,26?,28-;;;;/m0..../s1.

What are the key properties of (4R)-4-benzyl-3-[(2R)-2-[(2S,5R)-5-methyl-2-phenyl-6-[(2S)-4-trimethylstannylpent-4-en-2-yl]-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one?

(4R)-4-benzyl-3-[(2R)-2-[(2S,5R)-5-methyl-2-phenyl-6-[(2S)-4-trimethylstannylpent-4-en-2-yl]-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 640.41 g/mol, XLogP of 6.79, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-benzyl-3-[(2R)-2-[(2S,5R)-5-methyl-2-phenyl-6-[(2S)-4-trimethylstannylpent-4-en-2-yl]-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134870824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).