(R)-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-pyridin-3-ylmethanol

C26H44NO4P — CID 42223995

About (R)-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-pyridin-3-ylmethanol

(R)-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-pyridin-3-ylmethanol (PubChem CID 42223995) has the molecular formula C26H44NO4P and a molecular weight of 465.62 g/mol. Its IUPAC name is (R)-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-pyridin-3-ylmethanol.

Molecular Properties

• Compound Name: (R)-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-pyridin-3-ylmethanol
• PubChem CID: 42223995
• Molecular Formula: C26H44NO4P
• Molecular Weight: 465.62 g/mol
• Exact Mass: 465.30
• IUPAC Name: (R)-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-pyridin-3-ylmethanol
• SMILES: CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OP(=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@@H](O)c1cccnc1
• InChI: InChI=1S/C26H44NO4P/c1-17(2)22-11-9-19(5)14-24(22)30-32(29,26(28)21-8-7-13-27-16-21)31-25-15-20(6)10-12-23(25)18(3)4/h7-8,13,16-20,22-26,28H,9-12,14-15H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,32?/m1/s1
• InChIKey: QZJIDEFRERTWOZ-UJZQCXRDSA-N
• XLogP: 7.22
• TPSA: 68.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.62
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (R)-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-pyridin-3-ylmethanol?

The IUPAC name of (R)-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-pyridin-3-ylmethanol (CID 42223995) is (R)-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-pyridin-3-ylmethanol.

What is the SMILES notation for (R)-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-pyridin-3-ylmethanol?

The canonical SMILES for (R)-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-pyridin-3-ylmethanol is CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OP(=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@@H](O)c1cccnc1.

What is the InChIKey of (R)-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-pyridin-3-ylmethanol?

The InChIKey is QZJIDEFRERTWOZ-UJZQCXRDSA-N. The full InChI is InChI=1S/C26H44NO4P/c1-17(2)22-11-9-19(5)14-24(22)30-32(29,26(28)21-8-7-13-27-16-21)31-25-15-20(6)10-12-23(25)18(3)4/h7-8,13,16-20,22-26,28H,9-12,14-15H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,32?/m1/s1.

What are the key properties of (R)-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-pyridin-3-ylmethanol?

(R)-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-pyridin-3-ylmethanol has a molecular weight of 465.62 g/mol, XLogP of 7.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-pyridin-3-ylmethanol is sourced from PubChem (CID 42223995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).