1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl (2S,4R)-4-[(2R,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypyrrolidine-1,2-dicarboxylate

C50H50N4O9 — CID 101409326

About 1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl (2S,4R)-4-[(2R,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypyrrolidine-1,2-dicarboxylate

1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl (2S,4R)-4-[(2R,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypyrrolidine-1,2-dicarboxylate (PubChem CID 101409326) has the molecular formula C50H50N4O9 and a molecular weight of 850.97 g/mol. Its IUPAC name is 1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl (2S,4R)-4-[(2R,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypyrrolidine-1,2-dicarboxylate.

Molecular Properties

• Compound Name: 1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl (2S,4R)-4-[(2R,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypyrrolidine-1,2-dicarboxylate
• PubChem CID: 101409326
• Molecular Formula: C50H50N4O9
• Molecular Weight: 850.97 g/mol
• Exact Mass: 850.36
• IUPAC Name: 1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl (2S,4R)-4-[(2R,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypyrrolidine-1,2-dicarboxylate
• SMILES: C=CCOC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2N=[N+]=[N-])CN1C(=O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C50H50N4O9/c1-2-26-58-48(55)43-27-37(28-54(43)50(56)61-32-42-40-24-14-12-22-38(40)39-23-13-15-25-41(39)42)62-49-45(52-53-51)47(60-31-36-20-10-5-11-21-36)46(59-30-35-18-8-4-9-19-35)44(63-49)33-57-29-34-16-6-3-7-17-34/h2-25,37,42-47,49H,1,26-33H2/t37-,43+,44-,45-,46-,47-,49-/m1/s1
• InChIKey: OGUNZVNMLZTQNA-ZOGPYJKCSA-N
• XLogP: 8.92
• TPSA: 150.75 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	850.97
LogP ≤ 5	8.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl (2S,4R)-4-[(2R,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypyrrolidine-1,2-dicarboxylate?

The IUPAC name of 1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl (2S,4R)-4-[(2R,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypyrrolidine-1,2-dicarboxylate (CID 101409326) is 1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl (2S,4R)-4-[(2R,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypyrrolidine-1,2-dicarboxylate.

What is the SMILES notation for 1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl (2S,4R)-4-[(2R,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypyrrolidine-1,2-dicarboxylate?

The canonical SMILES for 1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl (2S,4R)-4-[(2R,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypyrrolidine-1,2-dicarboxylate is C=CCOC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2N=[N+]=[N-])CN1C(=O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl (2S,4R)-4-[(2R,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypyrrolidine-1,2-dicarboxylate?

The InChIKey is OGUNZVNMLZTQNA-ZOGPYJKCSA-N. The full InChI is InChI=1S/C50H50N4O9/c1-2-26-58-48(55)43-27-37(28-54(43)50(56)61-32-42-40-24-14-12-22-38(40)39-23-13-15-25-41(39)42)62-49-45(52-53-51)47(60-31-36-20-10-5-11-21-36)46(59-30-35-18-8-4-9-19-35)44(63-49)33-57-29-34-16-6-3-7-17-34/h2-25,37,42-47,49H,1,26-33H2/t37-,43+,44-,45-,46-,47-,49-/m1/s1.

What are the key properties of 1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl (2S,4R)-4-[(2R,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypyrrolidine-1,2-dicarboxylate?

1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl (2S,4R)-4-[(2R,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypyrrolidine-1,2-dicarboxylate has a molecular weight of 850.97 g/mol, XLogP of 8.92, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl (2S,4R)-4-[(2R,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 101409326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).