1-[(2R,3S,5R)-4-[[(3S,3aS)-3-[[methyl(diphenyl)silyl]methyl]-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-3-fluoro-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione

C30H37FN3O5PSi — CID 174081252

About 1-[(2R,3S,5R)-4-[[(3S,3aS)-3-[[methyl(diphenyl)silyl]methyl]-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-3-fluoro-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,3S,5R)-4-[[(3S,3aS)-3-[[methyl(diphenyl)silyl]methyl]-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-3-fluoro-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 174081252) has the molecular formula C30H37FN3O5PSi and a molecular weight of 597.70 g/mol. Its IUPAC name is 1-[(2R,3S,5R)-4-[[(3S,3aS)-3-[[methyl(diphenyl)silyl]methyl]-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-3-fluoro-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2R,3S,5R)-4-[[(3S,3aS)-3-[[methyl(diphenyl)silyl]methyl]-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-3-fluoro-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione
• PubChem CID: 174081252
• Molecular Formula: C30H37FN3O5PSi
• Molecular Weight: 597.70 g/mol
• Exact Mass: 597.22
• IUPAC Name: 1-[(2R,3S,5R)-4-[[(3S,3aS)-3-[[methyl(diphenyl)silyl]methyl]-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-3-fluoro-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione
• SMILES: CC(C)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](F)C1OP1O[C@H](C[Si](C)(c2ccccc2)c2ccccc2)[C@@H]2CCCN21
• InChI: InChI=1S/C30H37FN3O5PSi/c1-20(2)27-28(26(31)29(37-27)33-18-16-25(35)32-30(33)36)39-40-34-17-10-15-23(34)24(38-40)19-41(3,21-11-6-4-7-12-21)22-13-8-5-9-14-22/h4-9,11-14,16,18,20,23-24,26-29H,10,15,17,19H2,1-3H3,(H,32,35,36)/t23-,24+,26-,27+,28?,29+,40?/m0/s1
• InChIKey: KVAGUSLSPBKOBH-FFTVDBIYSA-N
• XLogP: 3.80
• TPSA: 85.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	597.70
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,5R)-4-[[(3S,3aS)-3-[[methyl(diphenyl)silyl]methyl]-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-3-fluoro-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione?

The IUPAC name of 1-[(2R,3S,5R)-4-[[(3S,3aS)-3-[[methyl(diphenyl)silyl]methyl]-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-3-fluoro-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione (CID 174081252) is 1-[(2R,3S,5R)-4-[[(3S,3aS)-3-[[methyl(diphenyl)silyl]methyl]-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-3-fluoro-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[(2R,3S,5R)-4-[[(3S,3aS)-3-[[methyl(diphenyl)silyl]methyl]-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-3-fluoro-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione?

The canonical SMILES for 1-[(2R,3S,5R)-4-[[(3S,3aS)-3-[[methyl(diphenyl)silyl]methyl]-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-3-fluoro-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione is CC(C)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](F)C1OP1O[C@H](C[Si](C)(c2ccccc2)c2ccccc2)[C@@H]2CCCN21.

What is the InChIKey of 1-[(2R,3S,5R)-4-[[(3S,3aS)-3-[[methyl(diphenyl)silyl]methyl]-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-3-fluoro-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione?

The InChIKey is KVAGUSLSPBKOBH-FFTVDBIYSA-N. The full InChI is InChI=1S/C30H37FN3O5PSi/c1-20(2)27-28(26(31)29(37-27)33-18-16-25(35)32-30(33)36)39-40-34-17-10-15-23(34)24(38-40)19-41(3,21-11-6-4-7-12-21)22-13-8-5-9-14-22/h4-9,11-14,16,18,20,23-24,26-29H,10,15,17,19H2,1-3H3,(H,32,35,36)/t23-,24+,26-,27+,28?,29+,40?/m0/s1.

What are the key properties of 1-[(2R,3S,5R)-4-[[(3S,3aS)-3-[[methyl(diphenyl)silyl]methyl]-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-3-fluoro-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione?

1-[(2R,3S,5R)-4-[[(3S,3aS)-3-[[methyl(diphenyl)silyl]methyl]-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-3-fluoro-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 597.70 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,3S,5R)-4-[[(3S,3aS)-3-[[methyl(diphenyl)silyl]methyl]-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-3-fluoro-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 174081252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).