propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphinothioyl]amino]propanoate

C26H32FN4O8PS — CID 86294270

About propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphinothioyl]amino]propanoate

propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphinothioyl]amino]propanoate (PubChem CID 86294270) has the molecular formula C26H32FN4O8PS and a molecular weight of 610.60 g/mol. Its IUPAC name is propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphinothioyl]amino]propanoate.

Molecular Properties

• Compound Name: propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphinothioyl]amino]propanoate
• PubChem CID: 86294270
• Molecular Formula: C26H32FN4O8PS
• Molecular Weight: 610.60 g/mol
• Exact Mass: 610.17
• IUPAC Name: propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphinothioyl]amino]propanoate
• SMILES: CC(C)OC(=O)[C@H](C)NP(=S)(OC[C@@]1(F)O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O)Oc1ccc2ccccc2c1
• InChI: InChI=1S/C26H32FN4O8PS/c1-15(2)37-21(32)16(3)30-40(41,39-19-10-9-17-7-5-6-8-18(17)13-19)36-14-26(27)22(33)25(4,35)23(38-26)31-12-11-20(28)29-24(31)34/h5-13,15-16,22-23,33,35H,14H2,1-4H3,(H,30,41)(H2,28,29,34)/t16-,22-,23+,25+,26+,40?/m0/s1
• InChIKey: JDIHDAFEFLDTBM-TYCPOSJASA-N
• XLogP: 2.54
• TPSA: 167.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.60
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphinothioyl]amino]propanoate?

The IUPAC name of propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphinothioyl]amino]propanoate (CID 86294270) is propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphinothioyl]amino]propanoate.

What is the SMILES notation for propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphinothioyl]amino]propanoate?

The canonical SMILES for propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphinothioyl]amino]propanoate is CC(C)OC(=O)[C@H](C)NP(=S)(OC[C@@]1(F)O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O)Oc1ccc2ccccc2c1.

What is the InChIKey of propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphinothioyl]amino]propanoate?

The InChIKey is JDIHDAFEFLDTBM-TYCPOSJASA-N. The full InChI is InChI=1S/C26H32FN4O8PS/c1-15(2)37-21(32)16(3)30-40(41,39-19-10-9-17-7-5-6-8-18(17)13-19)36-14-26(27)22(33)25(4,35)23(38-26)31-12-11-20(28)29-24(31)34/h5-13,15-16,22-23,33,35H,14H2,1-4H3,(H,30,41)(H2,28,29,34)/t16-,22-,23+,25+,26+,40?/m0/s1.

What are the key properties of propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphinothioyl]amino]propanoate?

propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphinothioyl]amino]propanoate has a molecular weight of 610.60 g/mol, XLogP of 2.54, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphinothioyl]amino]propanoate is sourced from PubChem (CID 86294270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).