3-[3-azido-5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol

C80H93N3O15Si — CID 140502709

About 3-[3-azido-5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol

3-[3-azido-5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol (PubChem CID 140502709) has the molecular formula C80H93N3O15Si and a molecular weight of 1364.72 g/mol. Its IUPAC name is 3-[3-azido-5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol.

Molecular Properties

• Compound Name: 3-[3-azido-5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol
• PubChem CID: 140502709
• Molecular Formula: C80H93N3O15Si
• Molecular Weight: 1364.72 g/mol
• Exact Mass: 1363.64
• IUPAC Name: 3-[3-azido-5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol
• SMILES: CC(C)(C)[Si](C)(C)OCC1OC(OC2C(COCc3ccccc3)OC(OC3C(O)C(O)C(OCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)C(N=[N+]=[N-])C2OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
• InChI: InChI=1S/C80H93N3O15Si/c1-80(2,3)99(4,5)94-55-65-69(87-47-57-32-16-7-17-33-57)74(90-50-60-38-22-10-23-39-60)77(93-53-63-44-28-13-29-45-63)79(96-65)97-70-64(54-86-46-56-30-14-6-15-31-56)95-78(66(82-83-81)71(70)88-48-58-34-18-8-19-35-58)98-73-68(85)67(84)72(89-49-59-36-20-9-21-37-59)75(91-51-61-40-24-11-25-41-61)76(73)92-52-62-42-26-12-27-43-62/h6-45,64-79,84-85H,46-55H2,1-5H3
• InChIKey: ZYCPMQMVUQWUEZ-UHFFFAOYSA-N
• XLogP: 13.96
• TPSA: 209.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 33
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1364.72
LogP ≤ 5	13.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

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 3-[3-azido-5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol?

The IUPAC name of 3-[3-azido-5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol (CID 140502709) is 3-[3-azido-5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol.

What is the SMILES notation for 3-[3-azido-5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol?

The canonical SMILES for 3-[3-azido-5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol is CC(C)(C)[Si](C)(C)OCC1OC(OC2C(COCc3ccccc3)OC(OC3C(O)C(O)C(OCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)C(N=[N+]=[N-])C2OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.

What is the InChIKey of 3-[3-azido-5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol?

The InChIKey is ZYCPMQMVUQWUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H93N3O15Si/c1-80(2,3)99(4,5)94-55-65-69(87-47-57-32-16-7-17-33-57)74(90-50-60-38-22-10-23-39-60)77(93-53-63-44-28-13-29-45-63)79(96-65)97-70-64(54-86-46-56-30-14-6-15-31-56)95-78(66(82-83-81)71(70)88-48-58-34-18-8-19-35-58)98-73-68(85)67(84)72(89-49-59-36-20-9-21-37-59)75(91-51-61-40-24-11-25-41-61)76(73)92-52-62-42-26-12-27-43-62/h6-45,64-79,84-85H,46-55H2,1-5H3.

What are the key properties of 3-[3-azido-5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol?

3-[3-azido-5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol has a molecular weight of 1364.72 g/mol, XLogP of 13.96, 33 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-azido-5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol is sourced from PubChem (CID 140502709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).