(2S,4S)-5-dimethoxyphosphoryl-6-methyl-2-[(2-methylpropan-2-yl)oxy]-4-phenyl-3,4-dihydro-2H-pyran

C18H27O5P — CID 10498316

About (2S,4S)-5-dimethoxyphosphoryl-6-methyl-2-[(2-methylpropan-2-yl)oxy]-4-phenyl-3,4-dihydro-2H-pyran

(2S,4S)-5-dimethoxyphosphoryl-6-methyl-2-[(2-methylpropan-2-yl)oxy]-4-phenyl-3,4-dihydro-2H-pyran (PubChem CID 10498316) has the molecular formula C18H27O5P and a molecular weight of 354.38 g/mol. Its IUPAC name is (2S,4S)-5-dimethoxyphosphoryl-6-methyl-2-[(2-methylpropan-2-yl)oxy]-4-phenyl-3,4-dihydro-2H-pyran.

Molecular Properties

• Compound Name: (2S,4S)-5-dimethoxyphosphoryl-6-methyl-2-[(2-methylpropan-2-yl)oxy]-4-phenyl-3,4-dihydro-2H-pyran
• PubChem CID: 10498316
• Molecular Formula: C18H27O5P
• Molecular Weight: 354.38 g/mol
• Exact Mass: 354.16
• IUPAC Name: (2S,4S)-5-dimethoxyphosphoryl-6-methyl-2-[(2-methylpropan-2-yl)oxy]-4-phenyl-3,4-dihydro-2H-pyran
• SMILES: COP(=O)(OC)C1=C(C)O[C@H](OC(C)(C)C)C[C@H]1c1ccccc1
• InChI: InChI=1S/C18H27O5P/c1-13-17(24(19,20-5)21-6)15(14-10-8-7-9-11-14)12-16(22-13)23-18(2,3)4/h7-11,15-16H,12H2,1-6H3/t15-,16+/m0/s1
• InChIKey: VWTVAJGYCAHFKR-JKSUJKDBSA-N
• XLogP: 5.05
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	354.38
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	0
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 (2S,4S)-5-dimethoxyphosphoryl-6-methyl-2-[(2-methylpropan-2-yl)oxy]-4-phenyl-3,4-dihydro-2H-pyran?

The IUPAC name of (2S,4S)-5-dimethoxyphosphoryl-6-methyl-2-[(2-methylpropan-2-yl)oxy]-4-phenyl-3,4-dihydro-2H-pyran (CID 10498316) is (2S,4S)-5-dimethoxyphosphoryl-6-methyl-2-[(2-methylpropan-2-yl)oxy]-4-phenyl-3,4-dihydro-2H-pyran.

What is the SMILES notation for (2S,4S)-5-dimethoxyphosphoryl-6-methyl-2-[(2-methylpropan-2-yl)oxy]-4-phenyl-3,4-dihydro-2H-pyran?

The canonical SMILES for (2S,4S)-5-dimethoxyphosphoryl-6-methyl-2-[(2-methylpropan-2-yl)oxy]-4-phenyl-3,4-dihydro-2H-pyran is COP(=O)(OC)C1=C(C)O[C@H](OC(C)(C)C)C[C@H]1c1ccccc1.

What is the InChIKey of (2S,4S)-5-dimethoxyphosphoryl-6-methyl-2-[(2-methylpropan-2-yl)oxy]-4-phenyl-3,4-dihydro-2H-pyran?

The InChIKey is VWTVAJGYCAHFKR-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H27O5P/c1-13-17(24(19,20-5)21-6)15(14-10-8-7-9-11-14)12-16(22-13)23-18(2,3)4/h7-11,15-16H,12H2,1-6H3/t15-,16+/m0/s1.

What are the key properties of (2S,4S)-5-dimethoxyphosphoryl-6-methyl-2-[(2-methylpropan-2-yl)oxy]-4-phenyl-3,4-dihydro-2H-pyran?

(2S,4S)-5-dimethoxyphosphoryl-6-methyl-2-[(2-methylpropan-2-yl)oxy]-4-phenyl-3,4-dihydro-2H-pyran has a molecular weight of 354.38 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S)-5-dimethoxyphosphoryl-6-methyl-2-[(2-methylpropan-2-yl)oxy]-4-phenyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 10498316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).