(2S)-2-[[[(2S,4S)-4-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy-(4-methylphenoxy)phosphoryl]amino]propanoic acid;yttrium

C19H25N4O8PY — CID 148513862

About (2S)-2-[[[(2S,4S)-4-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy-(4-methylphenoxy)phosphoryl]amino]propanoic acid;yttrium

(2S)-2-[[[(2S,4S)-4-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy-(4-methylphenoxy)phosphoryl]amino]propanoic acid;yttrium (PubChem CID 148513862) has the molecular formula C19H25N4O8PY and a molecular weight of 557.31 g/mol. Its IUPAC name is (2S)-2-[[[(2S,4S)-4-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy-(4-methylphenoxy)phosphoryl]amino]propanoic acid;yttrium.

Molecular Properties

• Compound Name: (2S)-2-[[[(2S,4S)-4-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy-(4-methylphenoxy)phosphoryl]amino]propanoic acid;yttrium
• PubChem CID: 148513862
• Molecular Formula: C19H25N4O8PY
• Molecular Weight: 557.31 g/mol
• Exact Mass: 557.05
• IUPAC Name: (2S)-2-[[[(2S,4S)-4-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy-(4-methylphenoxy)phosphoryl]amino]propanoic acid;yttrium
• SMILES: Cc1ccc(OP(=O)(N[C@@H](C)C(=O)O)OC[C@H]2OC[C@@H](n3cc(C)c(N)nc3=O)O2)cc1.[Y]
• InChI: InChI=1S/C19H25N4O8P.Y/c1-11-4-6-14(7-5-11)31-32(27,22-13(3)18(24)25)29-10-16-28-9-15(30-16)23-8-12(2)17(20)21-19(23)26;/h4-8,13,15-16H,9-10H2,1-3H3,(H,22,27)(H,24,25)(H2,20,21,26);/t13-,15-,16-,32?;/m0./s1
• InChIKey: WGKXTXADLUXJFP-FNCBXNNXSA-N
• XLogP: 1.58
• TPSA: 164.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.31
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[[(2S,4S)-4-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy-(4-methylphenoxy)phosphoryl]amino]propanoic acid;yttrium?

The IUPAC name of (2S)-2-[[[(2S,4S)-4-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy-(4-methylphenoxy)phosphoryl]amino]propanoic acid;yttrium (CID 148513862) is (2S)-2-[[[(2S,4S)-4-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy-(4-methylphenoxy)phosphoryl]amino]propanoic acid;yttrium.

What is the SMILES notation for (2S)-2-[[[(2S,4S)-4-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy-(4-methylphenoxy)phosphoryl]amino]propanoic acid;yttrium?

The canonical SMILES for (2S)-2-[[[(2S,4S)-4-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy-(4-methylphenoxy)phosphoryl]amino]propanoic acid;yttrium is Cc1ccc(OP(=O)(N[C@@H](C)C(=O)O)OC[C@H]2OC[C@@H](n3cc(C)c(N)nc3=O)O2)cc1.[Y].

What is the InChIKey of (2S)-2-[[[(2S,4S)-4-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy-(4-methylphenoxy)phosphoryl]amino]propanoic acid;yttrium?

The InChIKey is WGKXTXADLUXJFP-FNCBXNNXSA-N. The full InChI is InChI=1S/C19H25N4O8P.Y/c1-11-4-6-14(7-5-11)31-32(27,22-13(3)18(24)25)29-10-16-28-9-15(30-16)23-8-12(2)17(20)21-19(23)26;/h4-8,13,15-16H,9-10H2,1-3H3,(H,22,27)(H,24,25)(H2,20,21,26);/t13-,15-,16-,32?;/m0./s1.

What are the key properties of (2S)-2-[[[(2S,4S)-4-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy-(4-methylphenoxy)phosphoryl]amino]propanoic acid;yttrium?

(2S)-2-[[[(2S,4S)-4-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy-(4-methylphenoxy)phosphoryl]amino]propanoic acid;yttrium has a molecular weight of 557.31 g/mol, XLogP of 1.58, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[[(2S,4S)-4-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy-(4-methylphenoxy)phosphoryl]amino]propanoic acid;yttrium is sourced from PubChem (CID 148513862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).