[(2R,3R,4R,5R)-2-[[[[(1R)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-3-yl] propanoate

C25H33FN3O10P — CID 156523197

About [(2R,3R,4R,5R)-2-[[[[(1R)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-3-yl] propanoate

[(2R,3R,4R,5R)-2-[[[[(1R)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-3-yl] propanoate (PubChem CID 156523197) has the molecular formula C25H33FN3O10P and a molecular weight of 585.52 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-2-[[[[(1R)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-3-yl] propanoate.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-2-[[[[(1R)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-3-yl] propanoate
• PubChem CID: 156523197
• Molecular Formula: C25H33FN3O10P
• Molecular Weight: 585.52 g/mol
• Exact Mass: 585.19
• IUPAC Name: [(2R,3R,4R,5R)-2-[[[[(1R)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-3-yl] propanoate
• SMILES: CCC(=O)O[C@@H]1[C@@H](COP(=O)(N[C@H](CC)C2OCCO2)Oc2ccccc2)O[C@@H](n2ccc(=O)[nH]c2=O)[C@]1(C)F
• InChI: InChI=1S/C25H33FN3O10P/c1-4-17(22-34-13-14-35-22)28-40(33,39-16-9-7-6-8-10-16)36-15-18-21(38-20(31)5-2)25(3,26)23(37-18)29-12-11-19(30)27-24(29)32/h6-12,17-18,21-23H,4-5,13-15H2,1-3H3,(H,28,33)(H,27,30,32)/t17-,18-,21-,23-,25-,40?/m1/s1
• InChIKey: NBKSGKDICKKZRG-XZNDHKTOSA-N
• XLogP: 2.43
• TPSA: 156.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.52
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-2-[[[[(1R)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-3-yl] propanoate?

The IUPAC name of [(2R,3R,4R,5R)-2-[[[[(1R)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-3-yl] propanoate (CID 156523197) is [(2R,3R,4R,5R)-2-[[[[(1R)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-3-yl] propanoate.

What is the SMILES notation for [(2R,3R,4R,5R)-2-[[[[(1R)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-3-yl] propanoate?

The canonical SMILES for [(2R,3R,4R,5R)-2-[[[[(1R)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-3-yl] propanoate is CCC(=O)O[C@@H]1[C@@H](COP(=O)(N[C@H](CC)C2OCCO2)Oc2ccccc2)O[C@@H](n2ccc(=O)[nH]c2=O)[C@]1(C)F.

What is the InChIKey of [(2R,3R,4R,5R)-2-[[[[(1R)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-3-yl] propanoate?

The InChIKey is NBKSGKDICKKZRG-XZNDHKTOSA-N. The full InChI is InChI=1S/C25H33FN3O10P/c1-4-17(22-34-13-14-35-22)28-40(33,39-16-9-7-6-8-10-16)36-15-18-21(38-20(31)5-2)25(3,26)23(37-18)29-12-11-19(30)27-24(29)32/h6-12,17-18,21-23H,4-5,13-15H2,1-3H3,(H,28,33)(H,27,30,32)/t17-,18-,21-,23-,25-,40?/m1/s1.

What are the key properties of [(2R,3R,4R,5R)-2-[[[[(1R)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-3-yl] propanoate?

[(2R,3R,4R,5R)-2-[[[[(1R)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-3-yl] propanoate has a molecular weight of 585.52 g/mol, XLogP of 2.43, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-2-[[[[(1R)-1-(1,3-dioxolan-2-yl)propyl]amino]-phenoxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-3-yl] propanoate is sourced from PubChem (CID 156523197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).