(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid

C25H32O7Si — CID 140818524

About (2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid

(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid (PubChem CID 140818524) has the molecular formula C25H32O7Si and a molecular weight of 472.61 g/mol. Its IUPAC name is (2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid.

Molecular Properties

• Compound Name: (2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
• PubChem CID: 140818524
• Molecular Formula: C25H32O7Si
• Molecular Weight: 472.61 g/mol
• Exact Mass: 472.19
• IUPAC Name: (2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
• SMILES: C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O
• InChI: InChI=1S/C25H32O7Si/c1-17(22(26)27)30-23(28)18(2)31-24(29)19(3)32-33(25(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-19H,1-6H3,(H,26,27)/t17-,18-,19+/m1/s1
• InChIKey: VBQBUFYQPHTIQI-QRVBRYPASA-N
• XLogP: 2.90
• TPSA: 99.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.61
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid?

The IUPAC name of (2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid (CID 140818524) is (2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid.

What is the SMILES notation for (2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid?

The canonical SMILES for (2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid is C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O.

What is the InChIKey of (2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid?

The InChIKey is VBQBUFYQPHTIQI-QRVBRYPASA-N. The full InChI is InChI=1S/C25H32O7Si/c1-17(22(26)27)30-23(28)18(2)31-24(29)19(3)32-33(25(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-19H,1-6H3,(H,26,27)/t17-,18-,19+/m1/s1.

What are the key properties of (2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid?

(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid has a molecular weight of 472.61 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid is sourced from PubChem (CID 140818524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).