[(2R,4R,5R)-4-cyano-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]phosphonamidic acid

C19H29N4O9P — CID 130281351

About [(2R,4R,5R)-4-cyano-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]phosphonamidic acid

[(2R,4R,5R)-4-cyano-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]phosphonamidic acid (PubChem CID 130281351) has the molecular formula C19H29N4O9P and a molecular weight of 488.43 g/mol. Its IUPAC name is [(2R,4R,5R)-4-cyano-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]phosphonamidic acid.

Molecular Properties

• Compound Name: [(2R,4R,5R)-4-cyano-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]phosphonamidic acid
• PubChem CID: 130281351
• Molecular Formula: C19H29N4O9P
• Molecular Weight: 488.43 g/mol
• Exact Mass: 488.17
• IUPAC Name: [(2R,4R,5R)-4-cyano-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]phosphonamidic acid
• SMILES: C[C@H](NP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(C#N)C1O)C(=O)OCC(C)(C)C
• InChI: InChI=1S/C19H29N4O9P/c1-11(15(26)30-10-18(2,3)4)22-33(28,29)31-8-12-14(25)19(5,9-20)16(32-12)23-7-6-13(24)21-17(23)27/h6-7,11-12,14,16,25H,8,10H2,1-5H3,(H,21,24,27)(H2,22,28,29)/t11-,12+,14?,16+,19+/m0/s1
• InChIKey: MDZKSJFEPARZLP-ADHUVUIZSA-N
• XLogP: 0.01
• TPSA: 192.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.43
LogP ≤ 5	0.01
H-Bond Donors ≤ 5	4
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 [(2R,4R,5R)-4-cyano-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]phosphonamidic acid?

The IUPAC name of [(2R,4R,5R)-4-cyano-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]phosphonamidic acid (CID 130281351) is [(2R,4R,5R)-4-cyano-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]phosphonamidic acid.

What is the SMILES notation for [(2R,4R,5R)-4-cyano-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]phosphonamidic acid?

The canonical SMILES for [(2R,4R,5R)-4-cyano-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]phosphonamidic acid is C[C@H](NP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(C#N)C1O)C(=O)OCC(C)(C)C.

What is the InChIKey of [(2R,4R,5R)-4-cyano-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]phosphonamidic acid?

The InChIKey is MDZKSJFEPARZLP-ADHUVUIZSA-N. The full InChI is InChI=1S/C19H29N4O9P/c1-11(15(26)30-10-18(2,3)4)22-33(28,29)31-8-12-14(25)19(5,9-20)16(32-12)23-7-6-13(24)21-17(23)27/h6-7,11-12,14,16,25H,8,10H2,1-5H3,(H,21,24,27)(H2,22,28,29)/t11-,12+,14?,16+,19+/m0/s1.

What are the key properties of [(2R,4R,5R)-4-cyano-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]phosphonamidic acid?

[(2R,4R,5R)-4-cyano-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]phosphonamidic acid has a molecular weight of 488.43 g/mol, XLogP of 0.01, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4R,5R)-4-cyano-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]phosphonamidic acid is sourced from PubChem (CID 130281351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).