(1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;(1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;[4-[4-[(1R)-2-(4-fluorophenyl)-7-hydroxy-3-oxo-7-phenyl-2-azaspiro[3.5]nonan-1-yl]-3-hydroxyphenyl]phenyl]phosphonic acid

C102H95F3N3O18P — CID 158255405

About (1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;(1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;[4-[4-[(1R)-2-(4-fluorophenyl)-7-hydroxy-3-oxo-7-phenyl-2-azaspiro[3.5]nonan-1-yl]-3-hydroxyphenyl]phenyl]phosphonic acid

(1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;(1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;[4-[4-[(1R)-2-(4-fluorophenyl)-7-hydroxy-3-oxo-7-phenyl-2-azaspiro[3.5]nonan-1-yl]-3-hydroxyphenyl]phenyl]phosphonic acid (PubChem CID 158255405) has the molecular formula C102H95F3N3O18P and a molecular weight of 1738.85 g/mol. Its IUPAC name is (1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;(1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;[4-[4-[(1R)-2-(4-fluorophenyl)-7-hydroxy-3-oxo-7-phenyl-2-azaspiro[3.5]nonan-1-yl]-3-hydroxyphenyl]phenyl]phosphonic acid.

Molecular Properties

• Compound Name: (1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;(1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;[4-[4-[(1R)-2-(4-fluorophenyl)-7-hydroxy-3-oxo-7-phenyl-2-azaspiro[3.5]nonan-1-yl]-3-hydroxyphenyl]phenyl]phosphonic acid
• PubChem CID: 158255405
• Molecular Formula: C102H95F3N3O18P
• Molecular Weight: 1738.85 g/mol
• Exact Mass: 1737.63
• IUPAC Name: (1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;(1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;[4-[4-[(1R)-2-(4-fluorophenyl)-7-hydroxy-3-oxo-7-phenyl-2-azaspiro[3.5]nonan-1-yl]-3-hydroxyphenyl]phenyl]phosphonic acid
• SMILES: O=C1N(c2ccc(F)cc2)[C@H](c2ccc(-c3ccc(P(=O)(O)O)cc3)cc2O)C12CCC(O)(c1ccccc1)CC2.O=C1N(c2ccc(F)cc2)[C@H](c2ccc(-c3ccc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc2O)C12CCC(O)(c1ccccc1)CC2.O=C1N(c2ccc(F)cc2)[C@H](c2ccc(-c3cccc(O)c3)cc2O)C12CCC(O)(c1ccccc1)CC2
• InChI: InChI=1S/C38H38FNO8.C32H29FNO6P.C32H28FNO4/c39-26-11-13-27(14-12-26)40-35(37(36(40)46)16-18-38(47,19-17-37)25-4-2-1-3-5-25)28-15-10-24(20-29(28)42)22-6-8-23(9-7-22)34-33(45)32(44)31(43)30(21-41)48-34;33-24-9-11-25(12-10-24)34-29(31(30(34)36)16-18-32(37,19-17-31)23-4-2-1-3-5-23)27-15-8-22(20-28(27)35)21-6-13-26(14-7-21)41(38,39)40;33-24-10-12-25(13-11-24)34-29(27-14-9-22(20-28(27)36)21-5-4-8-26(35)19-21)31(30(34)37)15-17-32(38,18-16-31)23-6-2-1-3-7-23/h1-15,20,30-35,41-45,47H,16-19,21H2;1-15,20,29,35,37H,16-19H2,(H2,38,39,40);1-14,19-20,29,35-36,38H,15-18H2/t30-,31-,32+,33-,34+,35-,37?,38?;2*29-,31?,32?/m111/s1
• InChIKey: GHFKZWNIOSVFTF-MGQGBPDGSA-N
• XLogP: 16.23
• TPSA: 350.22 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1738.85
LogP ≤ 5	16.23
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;(1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;[4-[4-[(1R)-2-(4-fluorophenyl)-7-hydroxy-3-oxo-7-phenyl-2-azaspiro[3.5]nonan-1-yl]-3-hydroxyphenyl]phenyl]phosphonic acid?

The IUPAC name of (1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;(1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;[4-[4-[(1R)-2-(4-fluorophenyl)-7-hydroxy-3-oxo-7-phenyl-2-azaspiro[3.5]nonan-1-yl]-3-hydroxyphenyl]phenyl]phosphonic acid (CID 158255405) is (1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;(1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;[4-[4-[(1R)-2-(4-fluorophenyl)-7-hydroxy-3-oxo-7-phenyl-2-azaspiro[3.5]nonan-1-yl]-3-hydroxyphenyl]phenyl]phosphonic acid.

What is the SMILES notation for (1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;(1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;[4-[4-[(1R)-2-(4-fluorophenyl)-7-hydroxy-3-oxo-7-phenyl-2-azaspiro[3.5]nonan-1-yl]-3-hydroxyphenyl]phenyl]phosphonic acid?

The canonical SMILES for (1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;(1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;[4-[4-[(1R)-2-(4-fluorophenyl)-7-hydroxy-3-oxo-7-phenyl-2-azaspiro[3.5]nonan-1-yl]-3-hydroxyphenyl]phenyl]phosphonic acid is O=C1N(c2ccc(F)cc2)[C@H](c2ccc(-c3ccc(P(=O)(O)O)cc3)cc2O)C12CCC(O)(c1ccccc1)CC2.O=C1N(c2ccc(F)cc2)[C@H](c2ccc(-c3ccc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc2O)C12CCC(O)(c1ccccc1)CC2.O=C1N(c2ccc(F)cc2)[C@H](c2ccc(-c3cccc(O)c3)cc2O)C12CCC(O)(c1ccccc1)CC2.

What is the InChIKey of (1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;(1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;[4-[4-[(1R)-2-(4-fluorophenyl)-7-hydroxy-3-oxo-7-phenyl-2-azaspiro[3.5]nonan-1-yl]-3-hydroxyphenyl]phenyl]phosphonic acid?

The InChIKey is GHFKZWNIOSVFTF-MGQGBPDGSA-N. The full InChI is InChI=1S/C38H38FNO8.C32H29FNO6P.C32H28FNO4/c39-26-11-13-27(14-12-26)40-35(37(36(40)46)16-18-38(47,19-17-37)25-4-2-1-3-5-25)28-15-10-24(20-29(28)42)22-6-8-23(9-7-22)34-33(45)32(44)31(43)30(21-41)48-34;33-24-9-11-25(12-10-24)34-29(31(30(34)36)16-18-32(37,19-17-31)23-4-2-1-3-5-23)27-15-8-22(20-28(27)35)21-6-13-26(14-7-21)41(38,39)40;33-24-10-12-25(13-11-24)34-29(27-14-9-22(20-28(27)36)21-5-4-8-26(35)19-21)31(30(34)37)15-17-32(38,18-16-31)23-6-2-1-3-7-23/h1-15,20,30-35,41-45,47H,16-19,21H2;1-15,20,29,35,37H,16-19H2,(H2,38,39,40);1-14,19-20,29,35-36,38H,15-18H2/t30-,31-,32+,33-,34+,35-,37?,38?;2*29-,31?,32?/m111/s1.

What are the key properties of (1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;(1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;[4-[4-[(1R)-2-(4-fluorophenyl)-7-hydroxy-3-oxo-7-phenyl-2-azaspiro[3.5]nonan-1-yl]-3-hydroxyphenyl]phenyl]phosphonic acid?

(1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;(1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;[4-[4-[(1R)-2-(4-fluorophenyl)-7-hydroxy-3-oxo-7-phenyl-2-azaspiro[3.5]nonan-1-yl]-3-hydroxyphenyl]phenyl]phosphonic acid has a molecular weight of 1738.85 g/mol, XLogP of 16.23, 15 rotatable bonds, 13 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;(1R)-2-(4-fluorophenyl)-7-hydroxy-1-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-7-phenyl-2-azaspiro[3.5]nonan-3-one;[4-[4-[(1R)-2-(4-fluorophenyl)-7-hydroxy-3-oxo-7-phenyl-2-azaspiro[3.5]nonan-1-yl]-3-hydroxyphenyl]phenyl]phosphonic acid is sourced from PubChem (CID 158255405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).