tert-butyl (4S)-4-[[(2R,3aR,6S,7S,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxycarbonyl-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C32H58N2O10Si — CID 59053305

About tert-butyl (4S)-4-[[(2R,3aR,6S,7S,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxycarbonyl-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[[(2R,3aR,6S,7S,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxycarbonyl-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 59053305) has the molecular formula C32H58N2O10Si and a molecular weight of 658.91 g/mol. Its IUPAC name is tert-butyl (4S)-4-[[(2R,3aR,6S,7S,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxycarbonyl-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (4S)-4-[[(2R,3aR,6S,7S,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxycarbonyl-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• PubChem CID: 59053305
• Molecular Formula: C32H58N2O10Si
• Molecular Weight: 658.91 g/mol
• Exact Mass: 658.39
• IUPAC Name: tert-butyl (4S)-4-[[(2R,3aR,6S,7S,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxycarbonyl-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• SMILES: COC(=O)[C@@]1(C[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C[C@H]2OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C(=O)OC(C)(C)C)[C@H]2O1
• InChI: InChI=1S/C32H58N2O10Si/c1-28(2,3)42-26(36)33(12)23-22(44-45(14,15)30(7,8)9)19-39-21-17-32(25(35)38-13,41-24(21)23)16-20-18-40-31(10,11)34(20)27(37)43-29(4,5)6/h20-24H,16-19H2,1-15H3/t20-,21+,22+,23+,24-,32+/m0/s1
• InChIKey: XYRXRKVMRVHJHX-QPNGBZSGSA-N
• XLogP: 5.47
• TPSA: 122.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.91
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[[(2R,3aR,6S,7S,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxycarbonyl-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

The IUPAC name of tert-butyl (4S)-4-[[(2R,3aR,6S,7S,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxycarbonyl-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 59053305) is tert-butyl (4S)-4-[[(2R,3aR,6S,7S,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxycarbonyl-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for tert-butyl (4S)-4-[[(2R,3aR,6S,7S,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxycarbonyl-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for tert-butyl (4S)-4-[[(2R,3aR,6S,7S,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxycarbonyl-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is COC(=O)[C@@]1(C[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C[C@H]2OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N(C)C(=O)OC(C)(C)C)[C@H]2O1.

What is the InChIKey of tert-butyl (4S)-4-[[(2R,3aR,6S,7S,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxycarbonyl-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

The InChIKey is XYRXRKVMRVHJHX-QPNGBZSGSA-N. The full InChI is InChI=1S/C32H58N2O10Si/c1-28(2,3)42-26(36)33(12)23-22(44-45(14,15)30(7,8)9)19-39-21-17-32(25(35)38-13,41-24(21)23)16-20-18-40-31(10,11)34(20)27(37)43-29(4,5)6/h20-24H,16-19H2,1-15H3/t20-,21+,22+,23+,24-,32+/m0/s1.

What are the key properties of tert-butyl (4S)-4-[[(2R,3aR,6S,7S,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxycarbonyl-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

tert-butyl (4S)-4-[[(2R,3aR,6S,7S,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxycarbonyl-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 658.91 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (4S)-4-[[(2R,3aR,6S,7S,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxycarbonyl-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 59053305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).