propan-2-yl 2-[[[(1S)-1-[(4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy]-phenoxyphosphanyl]amino]acetate

C22H30N3O7P — CID 134425292

About propan-2-yl 2-[[[(1S)-1-[(4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy]-phenoxyphosphanyl]amino]acetate

propan-2-yl 2-[[[(1S)-1-[(4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy]-phenoxyphosphanyl]amino]acetate (PubChem CID 134425292) has the molecular formula C22H30N3O7P and a molecular weight of 479.47 g/mol. Its IUPAC name is propan-2-yl 2-[[[(1S)-1-[(4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy]-phenoxyphosphanyl]amino]acetate.

Molecular Properties

• Compound Name: propan-2-yl 2-[[[(1S)-1-[(4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy]-phenoxyphosphanyl]amino]acetate
• PubChem CID: 134425292
• Molecular Formula: C22H30N3O7P
• Molecular Weight: 479.47 g/mol
• Exact Mass: 479.18
• IUPAC Name: propan-2-yl 2-[[[(1S)-1-[(4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy]-phenoxyphosphanyl]amino]acetate
• SMILES: CC(C)OC(=O)CNP(Oc1ccccc1)O[C@@H](C)C1C[C@H](C)[C@H](n2ccc(=O)[nH]c2=O)O1
• InChI: InChI=1S/C22H30N3O7P/c1-14(2)29-20(27)13-23-33(32-17-8-6-5-7-9-17)31-16(4)18-12-15(3)21(30-18)25-11-10-19(26)24-22(25)28/h5-11,14-16,18,21,23H,12-13H2,1-4H3,(H,24,26,28)/t15-,16-,18?,21+,33?/m0/s1
• InChIKey: DXWOJGWIPCQFNV-UXJDTZHYSA-N
• XLogP: 2.71
• TPSA: 120.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.47
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[[(1S)-1-[(4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy]-phenoxyphosphanyl]amino]acetate?

The IUPAC name of propan-2-yl 2-[[[(1S)-1-[(4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy]-phenoxyphosphanyl]amino]acetate (CID 134425292) is propan-2-yl 2-[[[(1S)-1-[(4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy]-phenoxyphosphanyl]amino]acetate.

What is the SMILES notation for propan-2-yl 2-[[[(1S)-1-[(4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy]-phenoxyphosphanyl]amino]acetate?

The canonical SMILES for propan-2-yl 2-[[[(1S)-1-[(4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy]-phenoxyphosphanyl]amino]acetate is CC(C)OC(=O)CNP(Oc1ccccc1)O[C@@H](C)C1C[C@H](C)[C@H](n2ccc(=O)[nH]c2=O)O1.

What is the InChIKey of propan-2-yl 2-[[[(1S)-1-[(4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy]-phenoxyphosphanyl]amino]acetate?

The InChIKey is DXWOJGWIPCQFNV-UXJDTZHYSA-N. The full InChI is InChI=1S/C22H30N3O7P/c1-14(2)29-20(27)13-23-33(32-17-8-6-5-7-9-17)31-16(4)18-12-15(3)21(30-18)25-11-10-19(26)24-22(25)28/h5-11,14-16,18,21,23H,12-13H2,1-4H3,(H,24,26,28)/t15-,16-,18?,21+,33?/m0/s1.

What are the key properties of propan-2-yl 2-[[[(1S)-1-[(4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy]-phenoxyphosphanyl]amino]acetate?

propan-2-yl 2-[[[(1S)-1-[(4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy]-phenoxyphosphanyl]amino]acetate has a molecular weight of 479.47 g/mol, XLogP of 2.71, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 2-[[[(1S)-1-[(4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy]-phenoxyphosphanyl]amino]acetate is sourced from PubChem (CID 134425292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).