(4R,5S)-3-[(2R,3S,4S,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-4-[(Z)-3-iodo-2-methylprop-2-enyl]-8-[(4-methoxyphenyl)methoxy]-2,5,7-trimethyl-3-triethylsilyloxyoctanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C45H72INO7Si2 — CID 11286053

About (4R,5S)-3-[(2R,3S,4S,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-4-[(Z)-3-iodo-2-methylprop-2-enyl]-8-[(4-methoxyphenyl)methoxy]-2,5,7-trimethyl-3-triethylsilyloxyoctanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

(4R,5S)-3-[(2R,3S,4S,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-4-[(Z)-3-iodo-2-methylprop-2-enyl]-8-[(4-methoxyphenyl)methoxy]-2,5,7-trimethyl-3-triethylsilyloxyoctanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 11286053) has the molecular formula C45H72INO7Si2 and a molecular weight of 922.15 g/mol. Its IUPAC name is (4R,5S)-3-[(2R,3S,4S,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-4-[(Z)-3-iodo-2-methylprop-2-enyl]-8-[(4-methoxyphenyl)methoxy]-2,5,7-trimethyl-3-triethylsilyloxyoctanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R,5S)-3-[(2R,3S,4S,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-4-[(Z)-3-iodo-2-methylprop-2-enyl]-8-[(4-methoxyphenyl)methoxy]-2,5,7-trimethyl-3-triethylsilyloxyoctanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 11286053
• Molecular Formula: C45H72INO7Si2
• Molecular Weight: 922.15 g/mol
• Exact Mass: 921.39
• IUPAC Name: (4R,5S)-3-[(2R,3S,4S,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-4-[(Z)-3-iodo-2-methylprop-2-enyl]-8-[(4-methoxyphenyl)methoxy]-2,5,7-trimethyl-3-triethylsilyloxyoctanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
• SMILES: CC[Si](CC)(CC)O[C@@H]([C@@H](C/C(C)=C\I)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)COCc1ccc(OC)cc1)[C@@H](C)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
• InChI: InChI=1S/C45H72INO7Si2/c1-15-56(16-2,17-3)54-41(34(7)43(48)47-35(8)42(52-44(47)49)37-21-19-18-20-22-37)39(27-31(4)28-46)33(6)40(53-55(13,14)45(9,10)11)32(5)29-51-30-36-23-25-38(50-12)26-24-36/h18-26,28,32-35,39-42H,15-17,27,29-30H2,1-14H3/b31-28-/t32-,33+,34-,35-,39+,40-,41-,42-/m1/s1
• InChIKey: CRFZGUKIORWFFR-UXUJVMQUSA-N
• XLogP: 12.35
• TPSA: 83.53 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 21
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	922.15
LogP ≤ 5	12.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-[(2R,3S,4S,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-4-[(Z)-3-iodo-2-methylprop-2-enyl]-8-[(4-methoxyphenyl)methoxy]-2,5,7-trimethyl-3-triethylsilyloxyoctanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?

The IUPAC name of (4R,5S)-3-[(2R,3S,4S,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-4-[(Z)-3-iodo-2-methylprop-2-enyl]-8-[(4-methoxyphenyl)methoxy]-2,5,7-trimethyl-3-triethylsilyloxyoctanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 11286053) is (4R,5S)-3-[(2R,3S,4S,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-4-[(Z)-3-iodo-2-methylprop-2-enyl]-8-[(4-methoxyphenyl)methoxy]-2,5,7-trimethyl-3-triethylsilyloxyoctanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R,5S)-3-[(2R,3S,4S,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-4-[(Z)-3-iodo-2-methylprop-2-enyl]-8-[(4-methoxyphenyl)methoxy]-2,5,7-trimethyl-3-triethylsilyloxyoctanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?

The canonical SMILES for (4R,5S)-3-[(2R,3S,4S,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-4-[(Z)-3-iodo-2-methylprop-2-enyl]-8-[(4-methoxyphenyl)methoxy]-2,5,7-trimethyl-3-triethylsilyloxyoctanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is CC[Si](CC)(CC)O[C@@H]([C@@H](C/C(C)=C\I)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)COCc1ccc(OC)cc1)[C@@H](C)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C.

What is the InChIKey of (4R,5S)-3-[(2R,3S,4S,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-4-[(Z)-3-iodo-2-methylprop-2-enyl]-8-[(4-methoxyphenyl)methoxy]-2,5,7-trimethyl-3-triethylsilyloxyoctanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?

The InChIKey is CRFZGUKIORWFFR-UXUJVMQUSA-N. The full InChI is InChI=1S/C45H72INO7Si2/c1-15-56(16-2,17-3)54-41(34(7)43(48)47-35(8)42(52-44(47)49)37-21-19-18-20-22-37)39(27-31(4)28-46)33(6)40(53-55(13,14)45(9,10)11)32(5)29-51-30-36-23-25-38(50-12)26-24-36/h18-26,28,32-35,39-42H,15-17,27,29-30H2,1-14H3/b31-28-/t32-,33+,34-,35-,39+,40-,41-,42-/m1/s1.

What are the key properties of (4R,5S)-3-[(2R,3S,4S,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-4-[(Z)-3-iodo-2-methylprop-2-enyl]-8-[(4-methoxyphenyl)methoxy]-2,5,7-trimethyl-3-triethylsilyloxyoctanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?

(4R,5S)-3-[(2R,3S,4S,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-4-[(Z)-3-iodo-2-methylprop-2-enyl]-8-[(4-methoxyphenyl)methoxy]-2,5,7-trimethyl-3-triethylsilyloxyoctanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 922.15 g/mol, XLogP of 12.35, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S)-3-[(2R,3S,4S,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-4-[(Z)-3-iodo-2-methylprop-2-enyl]-8-[(4-methoxyphenyl)methoxy]-2,5,7-trimethyl-3-triethylsilyloxyoctanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11286053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).