9H-fluoren-9-ylmethyl N-[2-[hydroxy-[hydroxy-[(3R,5S)-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl]oxyphosphoryl]oxyphosphoryl]oxyethyl]carbamate

C34H38N4O10P2S — CID 162683014

About 9H-fluoren-9-ylmethyl N-[2-[hydroxy-[hydroxy-[(3R,5S)-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl]oxyphosphoryl]oxyphosphoryl]oxyethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-[hydroxy-[hydroxy-[(3R,5S)-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl]oxyphosphoryl]oxyphosphoryl]oxyethyl]carbamate (PubChem CID 162683014) has the molecular formula C34H38N4O10P2S and a molecular weight of 756.71 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-[hydroxy-[hydroxy-[(3R,5S)-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl]oxyphosphoryl]oxyphosphoryl]oxyethyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[2-[hydroxy-[hydroxy-[(3R,5S)-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl]oxyphosphoryl]oxyphosphoryl]oxyethyl]carbamate
• PubChem CID: 162683014
• Molecular Formula: C34H38N4O10P2S
• Molecular Weight: 756.71 g/mol
• Exact Mass: 756.18
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[2-[hydroxy-[hydroxy-[(3R,5S)-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl]oxyphosphoryl]oxyphosphoryl]oxyethyl]carbamate
• SMILES: Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](OP(=O)(O)OP(=O)(O)OCCNC(=O)OCC3c4ccccc4-c4ccccc43)CN2)cc1
• InChI: InChI=1S/C34H38N4O10P2S/c1-21(23-11-13-24(14-12-23)32-22(2)37-20-51-32)38-33(39)31-17-25(18-36-31)47-50(43,44)48-49(41,42)46-16-15-35-34(40)45-19-30-28-9-5-3-7-26(28)27-8-4-6-10-29(27)30/h3-14,20-21,25,30-31,36H,15-19H2,1-2H3,(H,35,40)(H,38,39)(H,41,42)(H,43,44)/t21-,25+,31-/m0/s1
• InChIKey: GCDWZGWMCOPROZ-ZQBNOCPASA-N
• XLogP: 5.82
• TPSA: 194.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	756.71
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[hydroxy-[hydroxy-[(3R,5S)-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl]oxyphosphoryl]oxyphosphoryl]oxyethyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[hydroxy-[hydroxy-[(3R,5S)-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl]oxyphosphoryl]oxyphosphoryl]oxyethyl]carbamate (CID 162683014) is 9H-fluoren-9-ylmethyl N-[2-[hydroxy-[hydroxy-[(3R,5S)-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl]oxyphosphoryl]oxyphosphoryl]oxyethyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-[hydroxy-[hydroxy-[(3R,5S)-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl]oxyphosphoryl]oxyphosphoryl]oxyethyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-[hydroxy-[hydroxy-[(3R,5S)-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl]oxyphosphoryl]oxyphosphoryl]oxyethyl]carbamate is Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](OP(=O)(O)OP(=O)(O)OCCNC(=O)OCC3c4ccccc4-c4ccccc43)CN2)cc1.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-[hydroxy-[hydroxy-[(3R,5S)-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl]oxyphosphoryl]oxyphosphoryl]oxyethyl]carbamate?

The InChIKey is GCDWZGWMCOPROZ-ZQBNOCPASA-N. The full InChI is InChI=1S/C34H38N4O10P2S/c1-21(23-11-13-24(14-12-23)32-22(2)37-20-51-32)38-33(39)31-17-25(18-36-31)47-50(43,44)48-49(41,42)46-16-15-35-34(40)45-19-30-28-9-5-3-7-26(28)27-8-4-6-10-29(27)30/h3-14,20-21,25,30-31,36H,15-19H2,1-2H3,(H,35,40)(H,38,39)(H,41,42)(H,43,44)/t21-,25+,31-/m0/s1.

What are the key properties of 9H-fluoren-9-ylmethyl N-[2-[hydroxy-[hydroxy-[(3R,5S)-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl]oxyphosphoryl]oxyphosphoryl]oxyethyl]carbamate?

9H-fluoren-9-ylmethyl N-[2-[hydroxy-[hydroxy-[(3R,5S)-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl]oxyphosphoryl]oxyphosphoryl]oxyethyl]carbamate has a molecular weight of 756.71 g/mol, XLogP of 5.82, 14 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[2-[hydroxy-[hydroxy-[(3R,5S)-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl]oxyphosphoryl]oxyphosphoryl]oxyethyl]carbamate is sourced from PubChem (CID 162683014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).