(1-oxo-1-phenylmethoxypropan-2-yl) (2S)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

C29H34N3O10P — CID 142319582

About (1-oxo-1-phenylmethoxypropan-2-yl) (2S)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

(1-oxo-1-phenylmethoxypropan-2-yl) (2S)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (PubChem CID 142319582) has the molecular formula C29H34N3O10P and a molecular weight of 615.58 g/mol. Its IUPAC name is (1-oxo-1-phenylmethoxypropan-2-yl) (2S)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.

Molecular Properties

• Compound Name: (1-oxo-1-phenylmethoxypropan-2-yl) (2S)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
• PubChem CID: 142319582
• Molecular Formula: C29H34N3O10P
• Molecular Weight: 615.58 g/mol
• Exact Mass: 615.20
• IUPAC Name: (1-oxo-1-phenylmethoxypropan-2-yl) (2S)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
• SMILES: CC(OC(=O)[C@H](C)NP(=O)(OCC1CC(C)C(n2ccc(=O)[nH]c2=O)O1)Oc1ccccc1)C(=O)OCc1ccccc1
• InChI: InChI=1S/C29H34N3O10P/c1-19-16-24(41-26(19)32-15-14-25(33)30-29(32)36)18-39-43(37,42-23-12-8-5-9-13-23)31-20(2)27(34)40-21(3)28(35)38-17-22-10-6-4-7-11-22/h4-15,19-21,24,26H,16-18H2,1-3H3,(H,31,37)(H,30,33,36)/t19?,20-,21?,24?,26?,43?/m0/s1
• InChIKey: OGOJMDWCNXJQBS-SIOBRWRXSA-N
• XLogP: 3.32
• TPSA: 164.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.58
LogP ≤ 5	3.32
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 (1-oxo-1-phenylmethoxypropan-2-yl) (2S)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?

The IUPAC name of (1-oxo-1-phenylmethoxypropan-2-yl) (2S)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (CID 142319582) is (1-oxo-1-phenylmethoxypropan-2-yl) (2S)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.

What is the SMILES notation for (1-oxo-1-phenylmethoxypropan-2-yl) (2S)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?

The canonical SMILES for (1-oxo-1-phenylmethoxypropan-2-yl) (2S)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is CC(OC(=O)[C@H](C)NP(=O)(OCC1CC(C)C(n2ccc(=O)[nH]c2=O)O1)Oc1ccccc1)C(=O)OCc1ccccc1.

What is the InChIKey of (1-oxo-1-phenylmethoxypropan-2-yl) (2S)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?

The InChIKey is OGOJMDWCNXJQBS-SIOBRWRXSA-N. The full InChI is InChI=1S/C29H34N3O10P/c1-19-16-24(41-26(19)32-15-14-25(33)30-29(32)36)18-39-43(37,42-23-12-8-5-9-13-23)31-20(2)27(34)40-21(3)28(35)38-17-22-10-6-4-7-11-22/h4-15,19-21,24,26H,16-18H2,1-3H3,(H,31,37)(H,30,33,36)/t19?,20-,21?,24?,26?,43?/m0/s1.

What are the key properties of (1-oxo-1-phenylmethoxypropan-2-yl) (2S)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?

(1-oxo-1-phenylmethoxypropan-2-yl) (2S)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate has a molecular weight of 615.58 g/mol, XLogP of 3.32, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (1-oxo-1-phenylmethoxypropan-2-yl) (2S)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is sourced from PubChem (CID 142319582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).