tert-butyl (4S,5S)-4-[(1R,2S,3S,4S,5S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6-tetrahydroxyheptyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

C30H63NO9Si2 — CID 11802227

About tert-butyl (4S,5S)-4-[(1R,2S,3S,4S,5S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6-tetrahydroxyheptyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S,5S)-4-[(1R,2S,3S,4S,5S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6-tetrahydroxyheptyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11802227) has the molecular formula C30H63NO9Si2 and a molecular weight of 638.00 g/mol. Its IUPAC name is tert-butyl (4S,5S)-4-[(1R,2S,3S,4S,5S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6-tetrahydroxyheptyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (4S,5S)-4-[(1R,2S,3S,4S,5S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6-tetrahydroxyheptyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
• PubChem CID: 11802227
• Molecular Formula: C30H63NO9Si2
• Molecular Weight: 638.00 g/mol
• Exact Mass: 637.40
• IUPAC Name: tert-butyl (4S,5S)-4-[(1R,2S,3S,4S,5S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6-tetrahydroxyheptyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
• SMILES: C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1[C@@H](O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](C)O
• InChI: InChI=1S/C30H63NO9Si2/c1-18(32)21(33)24(39-41(14,15)28(6,7)8)25(40-42(16,17)29(9,10)11)23(35)22(34)20-19(2)37-30(12,13)31(20)26(36)38-27(3,4)5/h18-25,32-35H,1-17H3/t18-,19+,20-,21+,22-,23+,24+,25+/m1/s1
• InChIKey: OKUKUQJSESRMDF-IHWIZGRESA-N
• XLogP: 4.99
• TPSA: 138.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	638.00
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5S)-4-[(1R,2S,3S,4S,5S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6-tetrahydroxyheptyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?

The IUPAC name of tert-butyl (4S,5S)-4-[(1R,2S,3S,4S,5S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6-tetrahydroxyheptyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate (CID 11802227) is tert-butyl (4S,5S)-4-[(1R,2S,3S,4S,5S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6-tetrahydroxyheptyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for tert-butyl (4S,5S)-4-[(1R,2S,3S,4S,5S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6-tetrahydroxyheptyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for tert-butyl (4S,5S)-4-[(1R,2S,3S,4S,5S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6-tetrahydroxyheptyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate is C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1[C@@H](O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](C)O.

What is the InChIKey of tert-butyl (4S,5S)-4-[(1R,2S,3S,4S,5S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6-tetrahydroxyheptyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?

The InChIKey is OKUKUQJSESRMDF-IHWIZGRESA-N. The full InChI is InChI=1S/C30H63NO9Si2/c1-18(32)21(33)24(39-41(14,15)28(6,7)8)25(40-42(16,17)29(9,10)11)23(35)22(34)20-19(2)37-30(12,13)31(20)26(36)38-27(3,4)5/h18-25,32-35H,1-17H3/t18-,19+,20-,21+,22-,23+,24+,25+/m1/s1.

What are the key properties of tert-butyl (4S,5S)-4-[(1R,2S,3S,4S,5S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6-tetrahydroxyheptyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?

tert-butyl (4S,5S)-4-[(1R,2S,3S,4S,5S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6-tetrahydroxyheptyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 638.00 g/mol, XLogP of 4.99, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (4S,5S)-4-[(1R,2S,3S,4S,5S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6-tetrahydroxyheptyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11802227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).