methyl (2R)-2-[(4S,5R)-5-[(1S)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]acetate

C54H65N3O11Si — CID 11007550

About methyl (2R)-2-[(4S,5R)-5-[(1S)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]acetate

methyl (2R)-2-[(4S,5R)-5-[(1S)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]acetate (PubChem CID 11007550) has the molecular formula C54H65N3O11Si and a molecular weight of 960.21 g/mol. Its IUPAC name is methyl (2R)-2-[(4S,5R)-5-[(1S)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]acetate.

Molecular Properties

• Compound Name: methyl (2R)-2-[(4S,5R)-5-[(1S)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]acetate
• PubChem CID: 11007550
• Molecular Formula: C54H65N3O11Si
• Molecular Weight: 960.21 g/mol
• Exact Mass: 959.44
• IUPAC Name: methyl (2R)-2-[(4S,5R)-5-[(1S)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]acetate
• SMILES: COC(=O)[C@H](OC[C@H]1O[C@H](OC)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)[C@H]1OC(C)(C)O[C@@H]1[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
• InChI: InChI=1S/C54H65N3O11Si/c1-53(2,3)69(41-29-19-11-20-30-41,42-31-21-12-22-32-42)65-36-43(56-57-55)45-48(68-54(4,5)67-45)49(51(58)59-6)64-37-44-46(61-33-38-23-13-8-14-24-38)47(62-34-39-25-15-9-16-26-39)50(52(60-7)66-44)63-35-40-27-17-10-18-28-40/h8-32,43-50,52H,33-37H2,1-7H3/t43-,44+,45+,46+,47-,48-,49+,50+,52-/m0/s1
• InChIKey: HTOIBCNVDZFWII-RTZHDDNOSA-N
• XLogP: 8.45
• TPSA: 158.13 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	960.21
LogP ≤ 5	8.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(4S,5R)-5-[(1S)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]acetate?

The IUPAC name of methyl (2R)-2-[(4S,5R)-5-[(1S)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]acetate (CID 11007550) is methyl (2R)-2-[(4S,5R)-5-[(1S)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]acetate.

What is the SMILES notation for methyl (2R)-2-[(4S,5R)-5-[(1S)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]acetate?

The canonical SMILES for methyl (2R)-2-[(4S,5R)-5-[(1S)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]acetate is COC(=O)[C@H](OC[C@H]1O[C@H](OC)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)[C@H]1OC(C)(C)O[C@@H]1[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-].

What is the InChIKey of methyl (2R)-2-[(4S,5R)-5-[(1S)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]acetate?

The InChIKey is HTOIBCNVDZFWII-RTZHDDNOSA-N. The full InChI is InChI=1S/C54H65N3O11Si/c1-53(2,3)69(41-29-19-11-20-30-41,42-31-21-12-22-32-42)65-36-43(56-57-55)45-48(68-54(4,5)67-45)49(51(58)59-6)64-37-44-46(61-33-38-23-13-8-14-24-38)47(62-34-39-25-15-9-16-26-39)50(52(60-7)66-44)63-35-40-27-17-10-18-28-40/h8-32,43-50,52H,33-37H2,1-7H3/t43-,44+,45+,46+,47-,48-,49+,50+,52-/m0/s1.

What are the key properties of methyl (2R)-2-[(4S,5R)-5-[(1S)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]acetate?

methyl (2R)-2-[(4S,5R)-5-[(1S)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]acetate has a molecular weight of 960.21 g/mol, XLogP of 8.45, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2R)-2-[(4S,5R)-5-[(1S)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]acetate is sourced from PubChem (CID 11007550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).