tert-butyl (4R)-4-[(Z,1R)-4-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxyoxan-2-yl]-1-trimethylsilyloxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C51H88N4O9Si4 — CID 10534035

About tert-butyl (4R)-4-[(Z,1R)-4-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxyoxan-2-yl]-1-trimethylsilyloxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(Z,1R)-4-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxyoxan-2-yl]-1-trimethylsilyloxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10534035) has the molecular formula C51H88N4O9Si4 and a molecular weight of 1013.63 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(Z,1R)-4-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxyoxan-2-yl]-1-trimethylsilyloxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (4R)-4-[(Z,1R)-4-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxyoxan-2-yl]-1-trimethylsilyloxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• PubChem CID: 10534035
• Molecular Formula: C51H88N4O9Si4
• Molecular Weight: 1013.63 g/mol
• Exact Mass: 1012.56
• IUPAC Name: tert-butyl (4R)-4-[(Z,1R)-4-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxyoxan-2-yl]-1-trimethylsilyloxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• SMILES: CC(C)(C)OC(=O)N1[C@@H]([C@@H](C/C=C\[C@]2(O)O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2N=[N+]=[N-])O[Si](C)(C)C)COC1(C)C
• InChI: InChI=1S/C51H88N4O9Si4/c1-46(2,3)61-45(56)55-39(35-58-50(55,13)14)40(62-65(15,16)17)33-28-34-51(57)44(53-54-52)43(64-67(20,21)48(7,8)9)42(63-66(18,19)47(4,5)6)41(60-51)36-59-68(49(10,11)12,37-29-24-22-25-30-37)38-31-26-23-27-32-38/h22-32,34,39-44,57H,33,35-36H2,1-21H3/b34-28-/t39-,40-,41-,42+,43+,44-,51+/m1/s1
• InChIKey: AAIRJBGDSFRXPN-BBPJMIHYSA-N
• XLogP: 11.65
• TPSA: 153.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1013.63
LogP ≤ 5	11.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(Z,1R)-4-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxyoxan-2-yl]-1-trimethylsilyloxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

The IUPAC name of tert-butyl (4R)-4-[(Z,1R)-4-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxyoxan-2-yl]-1-trimethylsilyloxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 10534035) is tert-butyl (4R)-4-[(Z,1R)-4-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxyoxan-2-yl]-1-trimethylsilyloxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for tert-butyl (4R)-4-[(Z,1R)-4-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxyoxan-2-yl]-1-trimethylsilyloxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for tert-butyl (4R)-4-[(Z,1R)-4-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxyoxan-2-yl]-1-trimethylsilyloxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@@H]([C@@H](C/C=C\[C@]2(O)O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2N=[N+]=[N-])O[Si](C)(C)C)COC1(C)C.

What is the InChIKey of tert-butyl (4R)-4-[(Z,1R)-4-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxyoxan-2-yl]-1-trimethylsilyloxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

The InChIKey is AAIRJBGDSFRXPN-BBPJMIHYSA-N. The full InChI is InChI=1S/C51H88N4O9Si4/c1-46(2,3)61-45(56)55-39(35-58-50(55,13)14)40(62-65(15,16)17)33-28-34-51(57)44(53-54-52)43(64-67(20,21)48(7,8)9)42(63-66(18,19)47(4,5)6)41(60-51)36-59-68(49(10,11)12,37-29-24-22-25-30-37)38-31-26-23-27-32-38/h22-32,34,39-44,57H,33,35-36H2,1-21H3/b34-28-/t39-,40-,41-,42+,43+,44-,51+/m1/s1.

What are the key properties of tert-butyl (4R)-4-[(Z,1R)-4-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxyoxan-2-yl]-1-trimethylsilyloxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

tert-butyl (4R)-4-[(Z,1R)-4-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxyoxan-2-yl]-1-trimethylsilyloxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 1013.63 g/mol, XLogP of 11.65, 16 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (4R)-4-[(Z,1R)-4-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxyoxan-2-yl]-1-trimethylsilyloxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10534035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).