[(5R)-5-[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-5-phenylimidazolidin-1-yl]phosphonic acid;bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol)

C34H53F6N4O15P — CID 10234755

About [(5R)-5-[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-5-phenylimidazolidin-1-yl]phosphonic acid;bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol)

[(5R)-5-[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-5-phenylimidazolidin-1-yl]phosphonic acid;bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol) (PubChem CID 10234755) has the molecular formula C34H53F6N4O15P and a molecular weight of 902.77 g/mol. Its IUPAC name is [(5R)-5-[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-5-phenylimidazolidin-1-yl]phosphonic acid;bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol).

Molecular Properties

• Compound Name: [(5R)-5-[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-5-phenylimidazolidin-1-yl]phosphonic acid;bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol)
• PubChem CID: 10234755
• Molecular Formula: C34H53F6N4O15P
• Molecular Weight: 902.77 g/mol
• Exact Mass: 902.31
• IUPAC Name: [(5R)-5-[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-5-phenylimidazolidin-1-yl]phosphonic acid;bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol)
• SMILES: CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.C[C@H](OC[C@@]1(c2ccccc2)CNC(=O)N1P(=O)(O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C20H19F6N2O5P.2C7H17NO5/c1-12(13-7-15(19(21,22)23)9-16(8-13)20(24,25)26)33-11-18(14-5-3-2-4-6-14)10-27-17(29)28(18)34(30,31)32;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h2-9,12H,10-11H2,1H3,(H,27,29)(H2,30,31,32);2*4-13H,2-3H2,1H3/t12-,18+;2*4-,5+,6+,7+/m000/s1
• InChIKey: AVHCAPJWZRZJJX-BUEHIJGMSA-N
• XLogP: -1.90
• TPSA: 325.46 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	902.77
LogP ≤ 5	-1.90
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-5-phenylimidazolidin-1-yl]phosphonic acid;bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol)?

The IUPAC name of [(5R)-5-[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-5-phenylimidazolidin-1-yl]phosphonic acid;bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol) (CID 10234755) is [(5R)-5-[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-5-phenylimidazolidin-1-yl]phosphonic acid;bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol).

What is the SMILES notation for [(5R)-5-[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-5-phenylimidazolidin-1-yl]phosphonic acid;bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol)?

The canonical SMILES for [(5R)-5-[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-5-phenylimidazolidin-1-yl]phosphonic acid;bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol) is CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.C[C@H](OC[C@@]1(c2ccccc2)CNC(=O)N1P(=O)(O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.

What is the InChIKey of [(5R)-5-[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-5-phenylimidazolidin-1-yl]phosphonic acid;bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol)?

The InChIKey is AVHCAPJWZRZJJX-BUEHIJGMSA-N. The full InChI is InChI=1S/C20H19F6N2O5P.2C7H17NO5/c1-12(13-7-15(19(21,22)23)9-16(8-13)20(24,25)26)33-11-18(14-5-3-2-4-6-14)10-27-17(29)28(18)34(30,31)32;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h2-9,12H,10-11H2,1H3,(H,27,29)(H2,30,31,32);2*4-13H,2-3H2,1H3/t12-,18+;2*4-,5+,6+,7+/m000/s1.

What are the key properties of [(5R)-5-[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-5-phenylimidazolidin-1-yl]phosphonic acid;bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol)?

[(5R)-5-[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-5-phenylimidazolidin-1-yl]phosphonic acid;bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol) has a molecular weight of 902.77 g/mol, XLogP of -1.90, 18 rotatable bonds, 15 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [(5R)-5-[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-5-phenylimidazolidin-1-yl]phosphonic acid;bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol) is sourced from PubChem (CID 10234755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).