methyl (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-dihydroxypropyl]-4-hydroxy-2-methoxyoxane-2-carboxylate

C29H41NO9Si — CID 10650815

About methyl (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-dihydroxypropyl]-4-hydroxy-2-methoxyoxane-2-carboxylate

methyl (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-dihydroxypropyl]-4-hydroxy-2-methoxyoxane-2-carboxylate (PubChem CID 10650815) has the molecular formula C29H41NO9Si and a molecular weight of 575.73 g/mol. Its IUPAC name is methyl (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-dihydroxypropyl]-4-hydroxy-2-methoxyoxane-2-carboxylate.

Molecular Properties

• Compound Name: methyl (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-dihydroxypropyl]-4-hydroxy-2-methoxyoxane-2-carboxylate
• PubChem CID: 10650815
• Molecular Formula: C29H41NO9Si
• Molecular Weight: 575.73 g/mol
• Exact Mass: 575.26
• IUPAC Name: methyl (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-dihydroxypropyl]-4-hydroxy-2-methoxyoxane-2-carboxylate
• SMILES: COC(=O)[C@]1(OC)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
• InChI: InChI=1S/C29H41NO9Si/c1-19(31)30-24-22(32)17-29(37-6,27(35)36-5)39-26(24)25(34)23(33)18-38-40(28(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22-26,32-34H,17-18H2,1-6H3,(H,30,31)/t22-,23+,24+,25+,26+,29-/m0/s1
• InChIKey: CWVFCTVYHYCALE-OETXPTNLSA-N
• XLogP: 0.46
• TPSA: 143.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.73
LogP ≤ 5	0.46
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 methyl (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-dihydroxypropyl]-4-hydroxy-2-methoxyoxane-2-carboxylate?

The IUPAC name of methyl (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-dihydroxypropyl]-4-hydroxy-2-methoxyoxane-2-carboxylate (CID 10650815) is methyl (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-dihydroxypropyl]-4-hydroxy-2-methoxyoxane-2-carboxylate.

What is the SMILES notation for methyl (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-dihydroxypropyl]-4-hydroxy-2-methoxyoxane-2-carboxylate?

The canonical SMILES for methyl (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-dihydroxypropyl]-4-hydroxy-2-methoxyoxane-2-carboxylate is COC(=O)[C@]1(OC)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.

What is the InChIKey of methyl (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-dihydroxypropyl]-4-hydroxy-2-methoxyoxane-2-carboxylate?

The InChIKey is CWVFCTVYHYCALE-OETXPTNLSA-N. The full InChI is InChI=1S/C29H41NO9Si/c1-19(31)30-24-22(32)17-29(37-6,27(35)36-5)39-26(24)25(34)23(33)18-38-40(28(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22-26,32-34H,17-18H2,1-6H3,(H,30,31)/t22-,23+,24+,25+,26+,29-/m0/s1.

What are the key properties of methyl (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-dihydroxypropyl]-4-hydroxy-2-methoxyoxane-2-carboxylate?

methyl (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-dihydroxypropyl]-4-hydroxy-2-methoxyoxane-2-carboxylate has a molecular weight of 575.73 g/mol, XLogP of 0.46, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-dihydroxypropyl]-4-hydroxy-2-methoxyoxane-2-carboxylate is sourced from PubChem (CID 10650815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).