(4S)-3-[(Z,2R,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxy-5-phenylpent-4-enoyl]-4-(phosphanylmethyl)-1,3-oxazolidin-2-one

C34H42NO5PSi — CID 59042147

About (4S)-3-[(Z,2R,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxy-5-phenylpent-4-enoyl]-4-(phosphanylmethyl)-1,3-oxazolidin-2-one

(4S)-3-[(Z,2R,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxy-5-phenylpent-4-enoyl]-4-(phosphanylmethyl)-1,3-oxazolidin-2-one (PubChem CID 59042147) has the molecular formula C34H42NO5PSi and a molecular weight of 603.77 g/mol. Its IUPAC name is (4S)-3-[(Z,2R,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxy-5-phenylpent-4-enoyl]-4-(phosphanylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[(Z,2R,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxy-5-phenylpent-4-enoyl]-4-(phosphanylmethyl)-1,3-oxazolidin-2-one
• PubChem CID: 59042147
• Molecular Formula: C34H42NO5PSi
• Molecular Weight: 603.77 g/mol
• Exact Mass: 603.26
• IUPAC Name: (4S)-3-[(Z,2R,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxy-5-phenylpent-4-enoyl]-4-(phosphanylmethyl)-1,3-oxazolidin-2-one
• SMILES: CC(C)(C)[Si](OCCC[C@@H](C(=O)N1C(=O)OC[C@H]1CP)[C@@H](O)/C=C\c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C34H42NO5PSi/c1-34(2,3)42(28-16-9-5-10-17-28,29-18-11-6-12-19-29)40-23-13-20-30(31(36)22-21-26-14-7-4-8-15-26)32(37)35-27(25-41)24-39-33(35)38/h4-12,14-19,21-22,27,30-31,36H,13,20,23-25,41H2,1-3H3/b22-21-/t27-,30+,31-/m0/s1
• InChIKey: OCDHIXGMTVSMTP-AKSKAREUSA-N
• XLogP: 5.26
• TPSA: 76.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.77
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(Z,2R,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxy-5-phenylpent-4-enoyl]-4-(phosphanylmethyl)-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-[(Z,2R,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxy-5-phenylpent-4-enoyl]-4-(phosphanylmethyl)-1,3-oxazolidin-2-one (CID 59042147) is (4S)-3-[(Z,2R,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxy-5-phenylpent-4-enoyl]-4-(phosphanylmethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-3-[(Z,2R,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxy-5-phenylpent-4-enoyl]-4-(phosphanylmethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-3-[(Z,2R,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxy-5-phenylpent-4-enoyl]-4-(phosphanylmethyl)-1,3-oxazolidin-2-one is CC(C)(C)[Si](OCCC[C@@H](C(=O)N1C(=O)OC[C@H]1CP)[C@@H](O)/C=C\c1ccccc1)(c1ccccc1)c1ccccc1.

What is the InChIKey of (4S)-3-[(Z,2R,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxy-5-phenylpent-4-enoyl]-4-(phosphanylmethyl)-1,3-oxazolidin-2-one?

The InChIKey is OCDHIXGMTVSMTP-AKSKAREUSA-N. The full InChI is InChI=1S/C34H42NO5PSi/c1-34(2,3)42(28-16-9-5-10-17-28,29-18-11-6-12-19-29)40-23-13-20-30(31(36)22-21-26-14-7-4-8-15-26)32(37)35-27(25-41)24-39-33(35)38/h4-12,14-19,21-22,27,30-31,36H,13,20,23-25,41H2,1-3H3/b22-21-/t27-,30+,31-/m0/s1.

What are the key properties of (4S)-3-[(Z,2R,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxy-5-phenylpent-4-enoyl]-4-(phosphanylmethyl)-1,3-oxazolidin-2-one?

(4S)-3-[(Z,2R,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxy-5-phenylpent-4-enoyl]-4-(phosphanylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 603.77 g/mol, XLogP of 5.26, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[(Z,2R,3S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxy-5-phenylpent-4-enoyl]-4-(phosphanylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 59042147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).