9H-fluoren-9-ylmethyl N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxo-6-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hex-3-en-2-yl]carbamate

C71H73NO9Si — CID 101153034

About 9H-fluoren-9-ylmethyl N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxo-6-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hex-3-en-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxo-6-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hex-3-en-2-yl]carbamate (PubChem CID 101153034) has the molecular formula C71H73NO9Si and a molecular weight of 1112.45 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxo-6-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hex-3-en-2-yl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxo-6-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hex-3-en-2-yl]carbamate
• PubChem CID: 101153034
• Molecular Formula: C71H73NO9Si
• Molecular Weight: 1112.45 g/mol
• Exact Mass: 1111.51
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxo-6-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hex-3-en-2-yl]carbamate
• SMILES: CC(C)(C)[Si](OC[C@@H](/C=C/C(=O)C[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C71H73NO9Si/c1-71(2,3)82(58-34-18-8-19-35-58,59-36-20-9-21-37-59)80-49-56(72-70(74)79-50-64-62-40-24-22-38-60(62)61-39-23-25-41-63(61)64)42-43-57(73)44-65-67(76-46-53-28-12-5-13-29-53)69(78-48-55-32-16-7-17-33-55)68(77-47-54-30-14-6-15-31-54)66(81-65)51-75-45-52-26-10-4-11-27-52/h4-43,56,64-69H,44-51H2,1-3H3,(H,72,74)/b43-42+/t56-,65-,66-,67+,68-,69-/m1/s1
• InChIKey: YYLCMUCCRQXNPO-CGJKSLJDSA-N
• XLogP: 12.73
• TPSA: 110.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 25
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1112.45
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxo-6-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hex-3-en-2-yl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxo-6-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hex-3-en-2-yl]carbamate (CID 101153034) is 9H-fluoren-9-ylmethyl N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxo-6-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hex-3-en-2-yl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxo-6-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hex-3-en-2-yl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxo-6-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hex-3-en-2-yl]carbamate is CC(C)(C)[Si](OC[C@@H](/C=C/C(=O)C[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)c1ccccc1.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxo-6-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hex-3-en-2-yl]carbamate?

The InChIKey is YYLCMUCCRQXNPO-CGJKSLJDSA-N. The full InChI is InChI=1S/C71H73NO9Si/c1-71(2,3)82(58-34-18-8-19-35-58,59-36-20-9-21-37-59)80-49-56(72-70(74)79-50-64-62-40-24-22-38-60(62)61-39-23-25-41-63(61)64)42-43-57(73)44-65-67(76-46-53-28-12-5-13-29-53)69(78-48-55-32-16-7-17-33-55)68(77-47-54-30-14-6-15-31-54)66(81-65)51-75-45-52-26-10-4-11-27-52/h4-43,56,64-69H,44-51H2,1-3H3,(H,72,74)/b43-42+/t56-,65-,66-,67+,68-,69-/m1/s1.

What are the key properties of 9H-fluoren-9-ylmethyl N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxo-6-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hex-3-en-2-yl]carbamate?

9H-fluoren-9-ylmethyl N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxo-6-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hex-3-en-2-yl]carbamate has a molecular weight of 1112.45 g/mol, XLogP of 12.73, 25 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxo-6-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hex-3-en-2-yl]carbamate is sourced from PubChem (CID 101153034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).